2002 Vol. 19, No. Suppl
Display Method:
2002, 19(Suppl): 1-3.
doi: 10.11804/NuclPhysRev.19.S1.001
Abstract:
An ab initio study is made of the Jahn Teller distortion of the B + 4 molecule using quadratic configuration interaction with all single and double substitutions (QCISD) and 6 311G * basis set. For this cation, the D 2h (rectangle and rhombus), D 4h , C 2v (planar and non planar), D ∞h structure are full optimized and analyzed using energies, bond lengths and angles, harmonic frequencies and group theory. The present results predict a new stationary point structure of...
An ab initio study is made of the Jahn Teller distortion of the B + 4 molecule using quadratic configuration interaction with all single and double substitutions (QCISD) and 6 311G * basis set. For this cation, the D 2h (rectangle and rhombus), D 4h , C 2v (planar and non planar), D ∞h structure are full optimized and analyzed using energies, bond lengths and angles, harmonic frequencies and group theory. The present results predict a new stationary point structure of...
2002, 19(Suppl): 4-6.
doi: 10.11804/NuclPhysRev.19.S1.004
Abstract:
The theoretical study on UH n+ (n=1, 2, 3) ions using density functi onal method shows that UH + (x 5 Σ) is stable, and UH 3+ (x 5 Σ) ion is unstable. While the potential energy curve of UH 2+ (x 4 Σ) has both minimum and maximum, which is so-called the "energy trapped" molecules. This sort of potential maximum is chiefly due to Co ulomb repulsion. The perturbation effect of ionic charges has been proposed to e xplain why the maximum can exist for diatomic...
The theoretical study on UH n+ (n=1, 2, 3) ions using density functi onal method shows that UH + (x 5 Σ) is stable, and UH 3+ (x 5 Σ) ion is unstable. While the potential energy curve of UH 2+ (x 4 Σ) has both minimum and maximum, which is so-called the "energy trapped" molecules. This sort of potential maximum is chiefly due to Co ulomb repulsion. The perturbation effect of ionic charges has been proposed to e xplain why the maximum can exist for diatomic...
2002, 19(Suppl): 7-9.
doi: 10.11804/NuclPhysRev.19.S1.007
Abstract:
In this paper, by means of using the wavefunction taking th e ionicity effect into account of hydrogenlike ions, the influence of the ionicity effect on the transition probabilities of heavy hydrogenlike ions is systematic ally studied under a new model of potential function of hydrogenlike ions. It is found that the relative increase of the transition problbilities is from 3.55 t o 10.38 percent for the ions from Ne +9 to Pm +60 because of the ionic ity effect.
In this paper, by means of using the wavefunction taking th e ionicity effect into account of hydrogenlike ions, the influence of the ionicity effect on the transition probabilities of heavy hydrogenlike ions is systematic ally studied under a new model of potential function of hydrogenlike ions. It is found that the relative increase of the transition problbilities is from 3.55 t o 10.38 percent for the ions from Ne +9 to Pm +60 because of the ionic ity effect.
2002, 19(Suppl): 10-12.
doi: 10.11804/NuclPhysRev.19.S1.010
Abstract:
The electron momentum spectroscopy (EMS) technique is a powerful tool to inspect molecular electronic structure,and this experimental orbital imaging is in mome ntum space rather than the more familiar position space.Both the one-electron bi nding energies and momentum distributions consistently image the distortions and topological changes that molecular orbitals undergo due to torsion of the carbo n backbone,and thereby exhibit variations that can be traced experimentally.....
The electron momentum spectroscopy (EMS) technique is a powerful tool to inspect molecular electronic structure,and this experimental orbital imaging is in mome ntum space rather than the more familiar position space.Both the one-electron bi nding energies and momentum distributions consistently image the distortions and topological changes that molecular orbitals undergo due to torsion of the carbo n backbone,and thereby exhibit variations that can be traced experimentally.....
2002, 19(Suppl): 13-16.
doi: 10.11804/NuclPhysRev.19.S1.013
Abstract:
The molecular structure and spectrum for plutonium hydrides PuH and PuH 2 have been worked out with the B3LYP/SDD method. The Murrel- Sorbie function for PuH and Many Body expanded potential energy function are als o fitted to the calculations.
The molecular structure and spectrum for plutonium hydrides PuH and PuH 2 have been worked out with the B3LYP/SDD method. The Murrel- Sorbie function for PuH and Many Body expanded potential energy function are als o fitted to the calculations.
2002, 19(Suppl): 17-19.
doi: 10.11804/NuclPhysRev.19.S1.017
Abstract:
A control system used in beam foil spectroscopy and lifetim e measurement is developed. The system can be used to measure the spectra and li fetime of highly charged ions. The design philosophy and the result of the test experiments are described in this paper.
A control system used in beam foil spectroscopy and lifetim e measurement is developed. The system can be used to measure the spectra and li fetime of highly charged ions. The design philosophy and the result of the test experiments are described in this paper.
2002, 19(Suppl): 20-22.
doi: 10.11804/NuclPhysRev.19.S1.020
Abstract:
Through comparing the experimental with the theoretical 3D plots for Ar, there are big deviations between them at low collision energy.
Through comparing the experimental with the theoretical 3D plots for Ar, there are big deviations between them at low collision energy.
2002, 19(Suppl): 23-25.
doi: 10.11804/NuclPhysRev.19.S1.023
Abstract:
The three-body distorted-wave Born approximations with sp in-averaged static exchange potential have been used to calculate the electron-impact triple-differential ionization cross sections(TDCS) of 4d orbital (Ag + (4d 10 )) in coplanar asymmetric geometry. At high incident energy(E o =1 000 eV), ionization amplitude of Ag + decreases with increase of scattered angle(θ a )and the shape of the binary peak and recoil peak is more complicated than s- and p-electron: binary...
The three-body distorted-wave Born approximations with sp in-averaged static exchange potential have been used to calculate the electron-impact triple-differential ionization cross sections(TDCS) of 4d orbital (Ag + (4d 10 )) in coplanar asymmetric geometry. At high incident energy(E o =1 000 eV), ionization amplitude of Ag + decreases with increase of scattered angle(θ a )and the shape of the binary peak and recoil peak is more complicated than s- and p-electron: binary...
2002, 19(Suppl): 26-28.
doi: 10.11804/NuclPhysRev.19.S1.026
Abstract:
The electron valence orbital momentum densities of fluorotrichloromethane CFCl 3 have been measured by binary (e, 2e) electron mementum spectroscopy. Impact energy of 1 200 eV plus binding energy and symmetric non-coplanar geometry are employed. The experimental momentum profiles of 3a 1 orbitals are compared with B3LYP calculations using 6-31G basics sets.
The electron valence orbital momentum densities of fluorotrichloromethane CFCl 3 have been measured by binary (e, 2e) electron mementum spectroscopy. Impact energy of 1 200 eV plus binding energy and symmetric non-coplanar geometry are employed. The experimental momentum profiles of 3a 1 orbitals are compared with B3LYP calculations using 6-31G basics sets.
2002, 19(Suppl): 29-32.
doi: 10.11804/NuclPhysRev.19.S1.029
Abstract:
The transition state constructions of the atom-diatomic molecule reaction collision are linear or non-linear shapes. In the present paper, only linear constructions are considered. The statistical distribution function and the mean values of critical bond length, reaction energy and so on have been calculated. The theoretical results agree well with the experimental ones.
The transition state constructions of the atom-diatomic molecule reaction collision are linear or non-linear shapes. In the present paper, only linear constructions are considered. The statistical distribution function and the mean values of critical bond length, reaction energy and so on have been calculated. The theoretical results agree well with the experimental ones.
2002, 19(Suppl): 33-35.
doi: 10.11804/NuclPhysRev.19.S1.033
Abstract:
Electron scattering from atom in multi-chromatic laser fie ld is investigated by employing the perturbation theory. The relations of differen tial cross sections of e-atom scattering, phase and commucative photon are obta ined in a special scattering geometry(the incident electron beam is parallel to the polarization direction of the laser field). Our results are consistent with other correlative theories.
Electron scattering from atom in multi-chromatic laser fie ld is investigated by employing the perturbation theory. The relations of differen tial cross sections of e-atom scattering, phase and commucative photon are obta ined in a special scattering geometry(the incident electron beam is parallel to the polarization direction of the laser field). Our results are consistent with other correlative theories.
2002, 19(Suppl): 36-39.
doi: 10.11804/NuclPhysRev.19.S1.036
Abstract:
An experimental study of the process Rb(5 2 P 3/ 2 )+Rb(5S)+nhν→Rb(7 2 D J )+Rb(5S)+ (n-1)hν is reported, where nhν represents a radiation field of n photons hav ing frequency ν. The frequency ν is tuned in the wings of the Rb7D 3/2 →5P 3/2 transition. The branching ratio of I(7D 3/ 2 →5P 1/2 /I(7D 5/2 →5P 1/2 ) has been measured. The measurements show the interatomic potentials and nonadiabatic effects take important roles in the dissociation dynamics.
An experimental study of the process Rb(5 2 P 3/ 2 )+Rb(5S)+nhν→Rb(7 2 D J )+Rb(5S)+ (n-1)hν is reported, where nhν represents a radiation field of n photons hav ing frequency ν. The frequency ν is tuned in the wings of the Rb7D 3/2 →5P 3/2 transition. The branching ratio of I(7D 3/ 2 →5P 1/2 /I(7D 5/2 →5P 1/2 ) has been measured. The measurements show the interatomic potentials and nonadiabatic effects take important roles in the dissociation dynamics.
2002, 19(Suppl): 40-42.
doi: 10.11804/NuclPhysRev.19.S1.040
Abstract:
The absolute generalized oscillator strengths of 4p 6( 1S 0) → 4p 55s\ 1, 4p 55s′\ 1 transitions and 4p 6( 1S 0) → 4p 55p\ 2,3 \ 1,2 \ 0 dipole-forbidden transition in Krypton are determined by angle-res olved electron-energy-loss spectrometer at an incident electron energy of 2500 eV and scattering angles from 1°to 8°. These results are compared with other experimental and theoretical results.
The absolute generalized oscillator strengths of 4p 6( 1S 0) → 4p 55s\ 1, 4p 55s′\ 1 transitions and 4p 6( 1S 0) → 4p 55p\ 2,3 \ 1,2 \ 0 dipole-forbidden transition in Krypton are determined by angle-res olved electron-energy-loss spectrometer at an incident electron energy of 2500 eV and scattering angles from 1°to 8°. These results are compared with other experimental and theoretical results.
2002, 19(Suppl): 43-45.
doi: 10.11804/NuclPhysRev.19.S1.043
Abstract:
Optical oscillator strengths of Krypton in the 4s autoi on ization energy region are obtained by using a high resolution fast electron energy loss spectrometer. Some discrepancies among previous papers are discussed . In addition, absolute optical oscillator strengths for the 3d inner-shell excitations are measured for the first time.
Optical oscillator strengths of Krypton in the 4s autoi on ization energy region are obtained by using a high resolution fast electron energy loss spectrometer. Some discrepancies among previous papers are discussed . In addition, absolute optical oscillator strengths for the 3d inner-shell excitations are measured for the first time.
2002, 19(Suppl): 46-48.
doi: 10.11804/NuclPhysRev.19.S1.046
Abstract:
At impact energy of 1 200 eV plus binding energy and symmet ri c non-coplanar geometry, the electron momentum spectra of chlorodifluoromet hane′s outer valence orbitals of 6a′, 4a″ and 3a″ have been meas ured by binary (e, 2e) electron momentum spectroscopy. The experimental momentum profiles for the different orbitals are compared with Hartree-Fock (HF) and de nsity functional theory (DFT) calculations using different-sized basis sets.
At impact energy of 1 200 eV plus binding energy and symmet ri c non-coplanar geometry, the electron momentum spectra of chlorodifluoromet hane′s outer valence orbitals of 6a′, 4a″ and 3a″ have been meas ured by binary (e, 2e) electron momentum spectroscopy. The experimental momentum profiles for the different orbitals are compared with Hartree-Fock (HF) and de nsity functional theory (DFT) calculations using different-sized basis sets.
2002, 19(Suppl): 49-50.
doi: 10.11804/NuclPhysRev.19.S1.049
Abstract:
By means of the electron energy loss spectroscopy(EELS), th e generalized oscillator strength density(GOSD) of krypton has been experimentally determined over a range 0.056K3.56 ato.unit and 8E88 eV, where K and E are momentum transfer and energy transfer respectively.The inci dent electron energy is 2.5 keV. As the function of momentum tansfer and energy transfer, the characteristic of the Bethe surface is analysed.
By means of the electron energy loss spectroscopy(EELS), th e generalized oscillator strength density(GOSD) of krypton has been experimentally determined over a range 0.056K3.56 ato.unit and 8E88 eV, where K and E are momentum transfer and energy transfer respectively.The inci dent electron energy is 2.5 keV. As the function of momentum tansfer and energy transfer, the characteristic of the Bethe surface is analysed.
2002, 19(Suppl): 51-54.
doi: 10.11804/NuclPhysRev.19.S1.051
Abstract:
Using semirelativistic distorted-wave Born approximation m et hod, we have calculated direct ionization (DI), excitation autoionization (E A) and resonant excitation double- autoionization (REDA) cross sections of Na- like ions Ti 11+ and Cr 13+ . There is a good agreement between theore tical results and experimental data in magnitude over the entire energy region. REDA processes contribute about 20%-30% to the total ionization cross section a nd cannot be neglected...
Using semirelativistic distorted-wave Born approximation m et hod, we have calculated direct ionization (DI), excitation autoionization (E A) and resonant excitation double- autoionization (REDA) cross sections of Na- like ions Ti 11+ and Cr 13+ . There is a good agreement between theore tical results and experimental data in magnitude over the entire energy region. REDA processes contribute about 20%-30% to the total ionization cross section a nd cannot be neglected...
2002, 19(Suppl): 55-58.
doi: 10.11804/NuclPhysRev.19.S1.055
Abstract:
A distorted-wave Born exchange (DWBE) approximation includ in g relativistic correction is used to calculate the electron-impact ionization cross sections and rate coefficients for the highly charged argon ions: Ar 7+ , Ar 8+ , ... , Ar 17+ . The comparison of the calculated results wit h the experimental data and other theoretical calculations shows that the DWBE method is valid for these ions. The calculated results for direct ionization cro ss sections and excitation ...
A distorted-wave Born exchange (DWBE) approximation includ in g relativistic correction is used to calculate the electron-impact ionization cross sections and rate coefficients for the highly charged argon ions: Ar 7+ , Ar 8+ , ... , Ar 17+ . The comparison of the calculated results wit h the experimental data and other theoretical calculations shows that the DWBE method is valid for these ions. The calculated results for direct ionization cro ss sections and excitation ...
2002, 19(Suppl): 59-61.
doi: 10.11804/NuclPhysRev.19.S1.059
Abstract:
In this work we have calculated electron-ion collision rad ia tive recombination (RR) cross sections using semi-relativistic distorted wa ve approximation. The radiative recombination for highly charged ions (e.g. H-l ike and Li-like) with low nuclear charge are studied. By comparing our calculat ed values with coulombic wave approximation, we concluded that it is necessary t o use distorted-wave Born exchange approximation in calculating RR cross sectio ns.
In this work we have calculated electron-ion collision rad ia tive recombination (RR) cross sections using semi-relativistic distorted wa ve approximation. The radiative recombination for highly charged ions (e.g. H-l ike and Li-like) with low nuclear charge are studied. By comparing our calculat ed values with coulombic wave approximation, we concluded that it is necessary t o use distorted-wave Born exchange approximation in calculating RR cross sectio ns.
2002, 19(Suppl): 62-66.
doi: 10.11804/NuclPhysRev.19.S1.062
Abstract:
The atomic and molecular reaction dynamics for U+CO have be en studied on the potential energy function CUO(X 3 A″) by Monte-Car lo quasi-classical trajectory approach. It is shown that the reaction U+CO→CUO with a long-lived intermediate complex has no threshold energy, which agrees w ith the potenlial surface. When the collision energy is greater than 418.4 kJ/mo l, the intercharge reaction increases, until the CUO molecule will decompose int o U,C,O completely, and these reactions...
The atomic and molecular reaction dynamics for U+CO have be en studied on the potential energy function CUO(X 3 A″) by Monte-Car lo quasi-classical trajectory approach. It is shown that the reaction U+CO→CUO with a long-lived intermediate complex has no threshold energy, which agrees w ith the potenlial surface. When the collision energy is greater than 418.4 kJ/mo l, the intercharge reaction increases, until the CUO molecule will decompose int o U,C,O completely, and these reactions...
2002, 19(Suppl): 67-69.
doi: 10.11804/NuclPhysRev.19.S1.067
Abstract:
By analyzing accurate experimental values of the total cro ss sections of electrons scattering by CO and CO 2 molecules, a formula ha s deduced, which reflects a correlation of the total cross section for electr ons scattering from molecules with energy and molecular parameters, in the ene rgy region below 1 500 eV.
By analyzing accurate experimental values of the total cro ss sections of electrons scattering by CO and CO 2 molecules, a formula ha s deduced, which reflects a correlation of the total cross section for electr ons scattering from molecules with energy and molecular parameters, in the ene rgy region below 1 500 eV.
2002, 19(Suppl): 70-72.
doi: 10.11804/NuclPhysRev.19.S1.070
Abstract:
In this paper, we report the SVRT model of the polyatomic m ol ecule reaction.This model may be powerful for the calculation of some polyatomic molecule collision. By introducing the adiabatic approximation method, the SVRT model may be improved and may describe the polyatomic reaction more reasonably.
In this paper, we report the SVRT model of the polyatomic m ol ecule reaction.This model may be powerful for the calculation of some polyatomic molecule collision. By introducing the adiabatic approximation method, the SVRT model may be improved and may describe the polyatomic reaction more reasonably.
2002, 19(Suppl): 73-76.
doi: 10.11804/NuclPhysRev.19.S1.073
Abstract:
Calculations of differential cross sections for positrons s ca ttering from ground-state He, Ne, Ar, Kr, Xe, and Rn at energies below the lowe st inelastic thresholds by using model potential method and STO wave function ar e presented. The calculated differential cross-section curves agree quite well with available experimental and other theory′s cross sections. The regulari ty of the angular distributions of the elastic scattering has been obtained by a nalyzing the...
Calculations of differential cross sections for positrons s ca ttering from ground-state He, Ne, Ar, Kr, Xe, and Rn at energies below the lowe st inelastic thresholds by using model potential method and STO wave function ar e presented. The calculated differential cross-section curves agree quite well with available experimental and other theory′s cross sections. The regulari ty of the angular distributions of the elastic scattering has been obtained by a nalyzing the...
2002, 19(Suppl): 77-80.
doi: 10.11804/NuclPhysRev.19.S1.077
Abstract:
We investigate the free-free transition in the presence of the resonant bichromatic laser field. The target atom is described by the three-level model and the rotating wave approximation. The differential cross section for a multi-channel collision is derived. The calculations show that excitation collision has quite small contribution to the whole collision pr ocesses.
We investigate the free-free transition in the presence of the resonant bichromatic laser field. The target atom is described by the three-level model and the rotating wave approximation. The differential cross section for a multi-channel collision is derived. The calculations show that excitation collision has quite small contribution to the whole collision pr ocesses.
2002, 19(Suppl): 81-84.
doi: 10.11804/NuclPhysRev.19.S1.081
Abstract:
Polarized UV-visible absorption? fluorescence spectroscop y and second harmonic generation are used to investigate the in-plane orientation of hemicyanine molecules in photoinduced Y-type LB films. Polarized UV nanosec ond laser beam could control the hemicyanine molecular orientation and align chr omophore axes of the hemicyanine along the direction of the UV beam polarization.
Polarized UV-visible absorption? fluorescence spectroscop y and second harmonic generation are used to investigate the in-plane orientation of hemicyanine molecules in photoinduced Y-type LB films. Polarized UV nanosec ond laser beam could control the hemicyanine molecular orientation and align chr omophore axes of the hemicyanine along the direction of the UV beam polarization.
2002, 19(Suppl): 85-87.
doi: 10.11804/NuclPhysRev.19.S1.085
Abstract:
In this paper, we use the "surface currents" mo de l to investigate the harmonic features during the interaction between a short-p ulse intense laser in nonrelativistic regime and solid target. The contribution of modification from Lorentz force to the harmonic is also discussed.
In this paper, we use the "surface currents" mo de l to investigate the harmonic features during the interaction between a short-p ulse intense laser in nonrelativistic regime and solid target. The contribution of modification from Lorentz force to the harmonic is also discussed.
2002, 19(Suppl): 88-90.
doi: 10.11804/NuclPhysRev.19.S1.088
Abstract:
Plasmas were produced by laser-induced breakdo wn in nitrogen, oxygen and air at 1 atm using the 1.06 μm beam from an YAG la ser .The spectra of these plasmas in the range of 400-800 nm were obtained. The preliminary result shows that all the spectra consist of a strong continuous ba ckground and some line structures. With delay sampling, the spectra vary remarka bly. By sampling at the different position of the plasmas, the spectra change in a special way. The quantitative analysis is in progress.
Plasmas were produced by laser-induced breakdo wn in nitrogen, oxygen and air at 1 atm using the 1.06 μm beam from an YAG la ser .The spectra of these plasmas in the range of 400-800 nm were obtained. The preliminary result shows that all the spectra consist of a strong continuous ba ckground and some line structures. With delay sampling, the spectra vary remarka bly. By sampling at the different position of the plasmas, the spectra change in a special way. The quantitative analysis is in progress.
2002, 19(Suppl): 91-94.
doi: 10.11804/NuclPhysRev.19.S1.091
Abstract:
Density functional (B3LYP/SDD) method with relativistic eff ec tive core potential (RECP) have been used to optimize the structure of ZrCo and ZrCoH, and to calculate energy E, entropy S and enthalpy H of ZrCoH(D,T) . Considering the characteristics of different motion types, the vibration energ y or electronic motion and vibration entropy of the molecules is assumed to be t he corresponding values of their solid states. ΔH , ΔS , ΔG and hydrogen isotope equilibrium pressures of ...
Density functional (B3LYP/SDD) method with relativistic eff ec tive core potential (RECP) have been used to optimize the structure of ZrCo and ZrCoH, and to calculate energy E, entropy S and enthalpy H of ZrCoH(D,T) . Considering the characteristics of different motion types, the vibration energ y or electronic motion and vibration entropy of the molecules is assumed to be t he corresponding values of their solid states. ΔH , ΔS , ΔG and hydrogen isotope equilibrium pressures of ...
2002, 19(Suppl): 95-97.
doi: 10.11804/NuclPhysRev.19.S1.095
Abstract:
The variation of dissociational probability of CD 4 on Ni (1 00) surface with its kinetic energy is calculated by using SVRT model and the ti me-dependent quantum wave packet method. The dissociative curvs of the states (v=1, 2, 3, j=1) and (v=2, j=1, 3, 5) are presented.
The variation of dissociational probability of CD 4 on Ni (1 00) surface with its kinetic energy is calculated by using SVRT model and the ti me-dependent quantum wave packet method. The dissociative curvs of the states (v=1, 2, 3, j=1) and (v=2, j=1, 3, 5) are presented.
2002, 19(Suppl): 98-101.
doi: 10.11804/NuclPhysRev.19.S1.098
Abstract:
In the case of Si + n (n=1-3) with energy of 0. 6 MeV/ion implantation into Si crystal, the mono-and bi-vacancies are formed i n the crystal. The optical absorption indicated that the defects, V 20 stat e, caused by cluster ions variy with the size of cluster. That is "Cluster Effe ct". Cluster zone and effect can be deduced by TRIM program and the experiment of positive electron annihilation.
In the case of Si + n (n=1-3) with energy of 0. 6 MeV/ion implantation into Si crystal, the mono-and bi-vacancies are formed i n the crystal. The optical absorption indicated that the defects, V 20 stat e, caused by cluster ions variy with the size of cluster. That is "Cluster Effe ct". Cluster zone and effect can be deduced by TRIM program and the experiment of positive electron annihilation.
2002, 19(Suppl): 102-105.
doi: 10.11804/NuclPhysRev.19.S1.102
Abstract:
The adsorption of one monolayer S atoms on an ideal GaAs(10 0) surface is studied by using the self-consistent tight-binding linear muffin- tin orbital method. The S atoms chemisorption on Ga-terminated and As-terminat ed surface are considered respectively. Adsorption energies of a S atom on diffe rent sites are calculated. The layer projected density of states for S atoms cov ered GaAs(100) surface is studied and compared with that of the clean surface. T he charge transfer is investigated. It is...
The adsorption of one monolayer S atoms on an ideal GaAs(10 0) surface is studied by using the self-consistent tight-binding linear muffin- tin orbital method. The S atoms chemisorption on Ga-terminated and As-terminat ed surface are considered respectively. Adsorption energies of a S atom on diffe rent sites are calculated. The layer projected density of states for S atoms cov ered GaAs(100) surface is studied and compared with that of the clean surface. T he charge transfer is investigated. It is...
2002, 19(Suppl): 106-109.
doi: 10.11804/NuclPhysRev.19.S1.106
Abstract:
The electronic transport properties of a conjugated molecul e (2-amino-5- nitro-1, 4- diethyny-4′-benzenethiol-benzene) sandwiched be tween two electron reservoirs are investigated by the elastic scattering Gree n s function theory. The density functional theory is used to obtain the elec tronic structure of the systems. The coupling constant between the molecule and gold surface is determined by the frontier molecular orbital theory and perturba tion theory. The numerical ...
The electronic transport properties of a conjugated molecul e (2-amino-5- nitro-1, 4- diethyny-4′-benzenethiol-benzene) sandwiched be tween two electron reservoirs are investigated by the elastic scattering Gree n s function theory. The density functional theory is used to obtain the elec tronic structure of the systems. The coupling constant between the molecule and gold surface is determined by the frontier molecular orbital theory and perturba tion theory. The numerical ...
2002, 19(Suppl): 110-112.
doi: 10.11804/NuclPhysRev.19.S1.110
Abstract:
A new equipment of pulse electric discharge supersonic mole cu lar beam is set up for producing transient species in studying metal-containing radical LIF spectra. Using N 2 gas, the effects of discharge voltage, de lay time relative to the pulse valve, discharge frequency and other factors to t he emission properties have been studied. Analyzing the rotational profile of C 3 Π u-B 3 Π g 0-1 vibration band, it is f ound that the rotational temperature of the moleclular beam can...
A new equipment of pulse electric discharge supersonic mole cu lar beam is set up for producing transient species in studying metal-containing radical LIF spectra. Using N 2 gas, the effects of discharge voltage, de lay time relative to the pulse valve, discharge frequency and other factors to t he emission properties have been studied. Analyzing the rotational profile of C 3 Π u-B 3 Π g 0-1 vibration band, it is f ound that the rotational temperature of the moleclular beam can...
2002, 19(Suppl): 113-117.
doi: 10.11804/NuclPhysRev.19.S1.113
Abstract:
By using open system consisted in electrolyte, NaOH, Ti-ca th ode and Pt-anode, the crystal structures and compositions of material of cathod e,α-Ti, were analyzed fore-and-aft electrolysis under very long period and s mall electric current density. The results showing that α-Ti, atomic crystal w ith face-center structure became TiH 2 , ionic crystal with cubic-center s tructure, and there were two parallel process after electrolysis: chemical adsor ption occured on the surface of...
By using open system consisted in electrolyte, NaOH, Ti-ca th ode and Pt-anode, the crystal structures and compositions of material of cathod e,α-Ti, were analyzed fore-and-aft electrolysis under very long period and s mall electric current density. The results showing that α-Ti, atomic crystal w ith face-center structure became TiH 2 , ionic crystal with cubic-center s tructure, and there were two parallel process after electrolysis: chemical adsor ption occured on the surface of...
2002, 19(Suppl): 118-120.
doi: 10.11804/NuclPhysRev.19.S1.118
Abstract:
The multiphoton ionization and dissoc iation of pyridine clusters is studied by using of both femtosecond laser MPI TOFMS and ab initio calcultion. Structures of pyridine clusters and mechanism of intracluster proton transfer are presented.
The multiphoton ionization and dissoc iation of pyridine clusters is studied by using of both femtosecond laser MPI TOFMS and ab initio calcultion. Structures of pyridine clusters and mechanism of intracluster proton transfer are presented.
2002, 19(Suppl): 121-123.
doi: 10.11804/NuclPhysRev.19.S1.121
Abstract:
Four methods (B3LYP,B3PW91,PW91PW91,SVWN) of density fun ctional theory with the polarized split-valence basis sets 6-311+G(3df) have been adopted to further i nvestigate the stable structures and the spin multiplicities for Al + 5 cluste rs. Six possible structures with different spin multiplicities for aluminium clu ster Al + 5 have been investigated respectively. A new most stable structure and spin multiplicity for aluminium cluster Al+5 has been found, that is ...
Four methods (B3LYP,B3PW91,PW91PW91,SVWN) of density fun ctional theory with the polarized split-valence basis sets 6-311+G(3df) have been adopted to further i nvestigate the stable structures and the spin multiplicities for Al + 5 cluste rs. Six possible structures with different spin multiplicities for aluminium clu ster Al + 5 have been investigated respectively. A new most stable structure and spin multiplicity for aluminium cluster Al+5 has been found, that is ...
2002, 19(Suppl): 124-127.
doi: 10.11804/NuclPhysRev.19.S1.124
Abstract:
The interaction process including Coulomb explosion, wake pot ential, and close collision with target atoms have been discussed in detail. A M onte Carlo program suitable for simulating cluster ions in both amorphous and cr ystal targets has been developed. The energy distribution and autgoing angle di stribution are calculated by the program and compared with experimental results.
The interaction process including Coulomb explosion, wake pot ential, and close collision with target atoms have been discussed in detail. A M onte Carlo program suitable for simulating cluster ions in both amorphous and cr ystal targets has been developed. The energy distribution and autgoing angle di stribution are calculated by the program and compared with experimental results.
2002, 19(Suppl): 128-130.
doi: 10.11804/NuclPhysRev.19.S1.128
Abstract:
The measured results for H + 4, H + 5 and H + 7 clust er ions are reported. It is ascertain that H + 4, H + 5 and H + 7 cluster ions can be produced by the interaction of H + 3 and one or more H and H 2 neutral atoms or moleculars.
The measured results for H + 4, H + 5 and H + 7 clust er ions are reported. It is ascertain that H + 4, H + 5 and H + 7 cluster ions can be produced by the interaction of H + 3 and one or more H and H 2 neutral atoms or moleculars.
2002, 19(Suppl): 131-133.
doi: 10.11804/NuclPhysRev.19.S1.131
Abstract:
Plane ringed carbon cluster is a special macromolecule. Cal cu lations show that the frequencies of rotational transition of carbon cluster are bound in the area of 1-20 GHz. According to this traits , we made carbon clust er-like microwave stealth material . The testing results indicate that the dou ble layer materials have the least reflectivity value of -31 dB and a wide frequ ency band width of about 2.3 GHz for reducing about -10 dB. Although the carbon cluster material is deposited...
Plane ringed carbon cluster is a special macromolecule. Cal cu lations show that the frequencies of rotational transition of carbon cluster are bound in the area of 1-20 GHz. According to this traits , we made carbon clust er-like microwave stealth material . The testing results indicate that the dou ble layer materials have the least reflectivity value of -31 dB and a wide frequ ency band width of about 2.3 GHz for reducing about -10 dB. Although the carbon cluster material is deposited...
2002, 19(Suppl): 134-137.
doi: 10.11804/NuclPhysRev.19.S1.134
Abstract:
The time-dependent Schrdinger equation with boundary co nd ition for one-dimentionanl hydrogen atom in intense laser field can be transfor med into inhomogeneous canonic equations by substituting symmetric difference qu otient for partial derivative. The general solutions of the inhomogencous canoni c equations and the particular solutions of the corresponding homogendous ca nonic equations are both generated by symplectic transformation. Therefore t he symplectic method can...
The time-dependent Schrdinger equation with boundary co nd ition for one-dimentionanl hydrogen atom in intense laser field can be transfor med into inhomogeneous canonic equations by substituting symmetric difference qu otient for partial derivative. The general solutions of the inhomogencous canoni c equations and the particular solutions of the corresponding homogendous ca nonic equations are both generated by symplectic transformation. Therefore t he symplectic method can...
2002, 19(Suppl): 138-140.
doi: 10.11804/NuclPhysRev.19.S1.138
Abstract:
In this paper we have described the symplectic fo rm for 1-dimensional time-independent Schrdinger equation and both the symplec tic scheme-matrix method and the symplectic scheme-shooting method for solving eigenvalue problem. The Wronskian-preserving algorithm for computing linear i ndependent solutions in the outmost space is also reported.
In this paper we have described the symplectic fo rm for 1-dimensional time-independent Schrdinger equation and both the symplec tic scheme-matrix method and the symplectic scheme-shooting method for solving eigenvalue problem. The Wronskian-preserving algorithm for computing linear i ndependent solutions in the outmost space is also reported.
2002, 19(Suppl): 141-144.
doi: 10.11804/NuclPhysRev.19.S1.141
Abstract:
We use pseudospectral method in spherical coordinate to cal culate the energy levels of hydrogen in magnetic fields up to 10 4 T. The re sults have high numerical accuracy and fast convergence. This method can be used in calculating other atoms in arbitrary electronic and magnetic fields.
We use pseudospectral method in spherical coordinate to cal culate the energy levels of hydrogen in magnetic fields up to 10 4 T. The re sults have high numerical accuracy and fast convergence. This method can be used in calculating other atoms in arbitrary electronic and magnetic fields.
2002, 19(Suppl): 145-147.
doi: 10.11804/NuclPhysRev.19.S1.145
Abstract:
Antihydrogen formation in the laser-assisted positronium- an tiproton collision is investigated in the first Born approximation. It is found that the differential cross section for a geometry of laser polarization paralle l to the incident direction of positronium is lowered in small angular range, bu t enhanced in medium angular range. When the laser polarization direction is per pendicular to the incident direction, the cross section enhancement obviously at medium angles is notable.
Antihydrogen formation in the laser-assisted positronium- an tiproton collision is investigated in the first Born approximation. It is found that the differential cross section for a geometry of laser polarization paralle l to the incident direction of positronium is lowered in small angular range, bu t enhanced in medium angular range. When the laser polarization direction is per pendicular to the incident direction, the cross section enhancement obviously at medium angles is notable.
2002, 19(Suppl): 148-150.
doi: 10.11804/NuclPhysRev.19.S1.148
Abstract:
In the soft-photon approximation, the laser-assisted radi at ive recombination between a positron and a antiproton is investigated. The lase r field is treated as a classical electromagnetic field. The positron state is described by the Coulomb-Volkov wavefunction, and the dressed state of antihyd rogen in final state is a perturbative solution of the time-dependent Schding er equation. It is predicted that the cross section for antihydrogen formation is greatly lowered in the presence of...
In the soft-photon approximation, the laser-assisted radi at ive recombination between a positron and a antiproton is investigated. The lase r field is treated as a classical electromagnetic field. The positron state is described by the Coulomb-Volkov wavefunction, and the dressed state of antihyd rogen in final state is a perturbative solution of the time-dependent Schding er equation. It is predicted that the cross section for antihydrogen formation is greatly lowered in the presence of...
2002, 19(Suppl): 151-153.
doi: 10.11804/NuclPhysRev.19.S1.151
Abstract:
The laser-assisted collisional ionization of atomic hydro ge n by 1 MeV fast proton is studied in the center-of-mass system. The dressed w avefunction of target is obtained by the time-dependent perturbation theory, and the state of ejected electron is described by a two-center Coulomb-Volko v wavefunction. It is shown that the double differential cross section (DDCS) i s lowered in the presence of a laser background. The higher the electron energy...
The laser-assisted collisional ionization of atomic hydro ge n by 1 MeV fast proton is studied in the center-of-mass system. The dressed w avefunction of target is obtained by the time-dependent perturbation theory, and the state of ejected electron is described by a two-center Coulomb-Volko v wavefunction. It is shown that the double differential cross section (DDCS) i s lowered in the presence of a laser background. The higher the electron energy...
2002, 19(Suppl): 154-155.
doi: 10.11804/NuclPhysRev.19.S1.154
Abstract:
One dimension parabolic potential is used to research the e ff ect of bound-bound states interaction in the high harmonic generation. Using di fferent frequency photons, we have obtained a result with only bound-bound st ates interaction. There is neither plateau nor obviously cutoff in the high harm onic generation, which is reasonable and significance.
One dimension parabolic potential is used to research the e ff ect of bound-bound states interaction in the high harmonic generation. Using di fferent frequency photons, we have obtained a result with only bound-bound st ates interaction. There is neither plateau nor obviously cutoff in the high harm onic generation, which is reasonable and significance.
2002, 19(Suppl): 156-158.
doi: 10.11804/NuclPhysRev.19.S1.156
Abstract:
Radiation damping is usually observed only when a sample ha s high spin concentration, such as water protons, in the high magnetic field with high-resolution spectrometer. However, after we applied the technique of laser -enhanced nuclear polarization, the nuclear spin polarizations of the liquid 129 Xe is increased to 1.45% , which corresponded to the enhancements of 5 000 compared to that without optical pumping under the same conditions. Therefo re, we observed radiation damping of liquid ...
Radiation damping is usually observed only when a sample ha s high spin concentration, such as water protons, in the high magnetic field with high-resolution spectrometer. However, after we applied the technique of laser -enhanced nuclear polarization, the nuclear spin polarizations of the liquid 129 Xe is increased to 1.45% , which corresponded to the enhancements of 5 000 compared to that without optical pumping under the same conditions. Therefo re, we observed radiation damping of liquid ...
2002, 19(Suppl): 159-161.
doi: 10.11804/NuclPhysRev.19.S1.159
Abstract:
In nuclear magnetic resonance (NMR) system, the interaction s between two arbitrary non direct-coupled spins always become very small along w ith the increasing of their distance. So it is very difficult to realize the inf ormation transmission between two non direct-coupled spins. Fortunately, by int roducing the quantum super dense coding (QSDC) and the spin swap operation, this difficulty can be overcome. In this paper, we analyze the scheme of transmitting information between...
In nuclear magnetic resonance (NMR) system, the interaction s between two arbitrary non direct-coupled spins always become very small along w ith the increasing of their distance. So it is very difficult to realize the inf ormation transmission between two non direct-coupled spins. Fortunately, by int roducing the quantum super dense coding (QSDC) and the spin swap operation, this difficulty can be overcome. In this paper, we analyze the scheme of transmitting information between...
2002, 19(Suppl): 162-165.
doi: 10.11804/NuclPhysRev.19.S1.162
Abstract:
The important problems that is quantum superposition and en ta ngled state in the quantum computation, quantum communication and quantum comput er have been discussed. From these, it is pointed out that the problems which ar e concern with quantum information can be handled by the quantum mechanics theor ies: quantum computing and transformation of the quantum information follows the Schrödinger Equation and U transformation in quantum system, respectively.
The important problems that is quantum superposition and en ta ngled state in the quantum computation, quantum communication and quantum comput er have been discussed. From these, it is pointed out that the problems which ar e concern with quantum information can be handled by the quantum mechanics theor ies: quantum computing and transformation of the quantum information follows the Schrödinger Equation and U transformation in quantum system, respectively.