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YANG Chuan-lu, ZHANG Zhi-hong, XU Qiang, GONG Yu-bing, RENG Ting-qi. Stable Configuration of B4+ Molecule and Structure of Electron[J]. Nuclear Physics Review, 2002, 19(Suppl): 1-3. doi: 10.11804/NuclPhysRev.19.S1.001
Citation: YANG Chuan-lu, ZHANG Zhi-hong, XU Qiang, GONG Yu-bing, RENG Ting-qi. Stable Configuration of B4+ Molecule and Structure of Electron[J]. Nuclear Physics Review, 2002, 19(Suppl): 1-3. doi: 10.11804/NuclPhysRev.19.S1.001
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Stable Configuration of B4+ Molecule and Structure of Electron

doi: 10.11804/NuclPhysRev.19.S1.001

  • Department of Physics; Yantai Normal University; Yantai 264025; China

  • Received Date: 1900-01-01
  • Rev Recd Date: 1900-01-01
  • Publish Date: 2002-07-20
  • 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...
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Stable Configuration of B4+ Molecule and Structure of Electron

doi: 10.11804/NuclPhysRev.19.S1.001
  • Department of Physics; Yantai Normal University; Yantai 264025; China
  • Received Date: 1900-01-01
  • Rev Recd Date: 1900-01-01
  • Publish Date: 2002-07-20

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...

YANG Chuan-lu, ZHANG Zhi-hong, XU Qiang, GONG Yu-bing, RENG Ting-qi. Stable Configuration of B4+ Molecule and Structure of Electron[J]. Nuclear Physics Review, 2002, 19(Suppl): 1-3. doi: 10.11804/NuclPhysRev.19.S1.001
Citation: YANG Chuan-lu, ZHANG Zhi-hong, XU Qiang, GONG Yu-bing, RENG Ting-qi. Stable Configuration of B4+ Molecule and Structure of Electron[J]. Nuclear Physics Review, 2002, 19(Suppl): 1-3. doi: 10.11804/NuclPhysRev.19.S1.001
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