Study of Structure and Potential Energy Curve for Ground State X<SUP>1</SUP>Σ<SUP>+</SUP> of LaF

CHEN Lin-hong; SHANG Ren-cheng

doi:10.11804/NuclPhysRev.19.02.113

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CHEN Lin-hong, SHANG Ren-cheng. Study of Structure and Potential Energy Curve for Ground State X1Σ+ of LaF[J]. Nuclear Physics Review, 2002, 19(2): 113-116. doi: 10.11804/NuclPhysRev.19.02.113

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CHEN Lin-hong, SHANG Ren-cheng. Study of Structure and Potential Energy Curve for Ground State X¹Σ⁺ of LaF[J]. Nuclear Physics Review, 2002, 19(2): 113-116. doi: 10.11804/NuclPhysRev.19.02.113

Study of Structure and Potential Energy Curve for Ground State X¹Σ⁺ of LaF

doi: 10.11804/NuclPhysRev.19.02.113

Center for Astrophysics; Tsinghua University; Beijing 100084; China

Received Date: 1900-01-01
Rev Recd Date: 1900-01-01
Publish Date: 2002-06-20

Abstract

The equilibrium geometry, harmonic frequency and dissociation energy of the molecule LaF have been calculated on several kinds of computation levels with energy-consistent relativistic effective core potentials and valence basis sets including polarization functions 4f2g and diffuse functions 1s1p1d. The possible electronic state and its reasonable dissociation limit for the ground state of LaF are determined based on Atomic and Molecular Reaction Statics(AMRS). The potential energy curve scan for...
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通讯作者: 陈斌, bchen63@163.com

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沈阳化工大学材料科学与工程学院沈阳 110142

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Study of Structure and Potential Energy Curve for Ground State X¹Σ⁺ of LaF

doi: 10.11804/NuclPhysRev.19.02.113

Center for Astrophysics; Tsinghua University; Beijing 100084; China

Received Date: 1900-01-01
Rev Recd Date: 1900-01-01
Publish Date: 2002-06-20

Key words:

energy-consistent relativistic effective core potential /
analytic potential energy function /
vibrotational spectroscopic constant

Abstract: The equilibrium geometry, harmonic frequency and dissociation energy of the molecule LaF have been calculated on several kinds of computation levels with energy-consistent relativistic effective core potentials and valence basis sets including polarization functions 4f2g and diffuse functions 1s1p1d. The possible electronic state and its reasonable dissociation limit for the ground state of LaF are determined based on Atomic and Molecular Reaction Statics(AMRS). The potential energy curve scan for...

CHEN Lin-hong, SHANG Ren-cheng. Study of Structure and Potential Energy Curve for Ground State X1Σ+ of LaF[J]. Nuclear Physics Review, 2002, 19(2): 113-116. doi: 10.11804/NuclPhysRev.19.02.113

Citation:

CHEN Lin-hong, SHANG Ren-cheng. Study of Structure and Potential Energy Curve for Ground State X¹Σ⁺ of LaF[J]. Nuclear Physics Review, 2002, 19(2): 113-116. doi: 10.11804/NuclPhysRev.19.02.113