All-electron Dirac-Fock-Slater SCF calculations for electronic and geometric structures of the Hg2 and Hg3 molecules

被引:0
|
作者
Fachbereich Physik, Universität Kassel, D-34109 Kassel, Germany [1 ]
不详 [2 ]
机构
来源
J Phys B At Mol Opt Phys | / 12卷 / 2325-2331期
关键词
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 20 条
  • [1] ALL-ELECTRON DIRAC-FOCK-SLATER SCF CALCULATIONS FOR ELECTRONIC AND GEOMETRIC STRUCTURES OF THE HG-2 AND HG-3 MOLECULES
    BASTUG, T
    SEPP, WD
    KOLB, D
    FRICKE, B
    BAERENDS, EJ
    TEVELDE, G
    JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1995, 28 (12) : 2325 - 2331
  • [2] ALL-ELECTRON DIRAC-FOCK-SLATER SCF CALCULATIONS OF THE AU2 MOLECULE
    BASTUG, T
    HEINEMANN, D
    SEPP, WD
    KOLB, D
    FRICKE, B
    CHEMICAL PHYSICS LETTERS, 1993, 211 (01) : 119 - 124
  • [3] All-electron Dirac-Fock-Roothaan calculations for the electronic structures of the GdF2 molecule
    Tatewaki, H
    Matsuoka, O
    CHEMICAL PHYSICS LETTERS, 1998, 283 (3-4) : 161 - 166
  • [4] Dirac-Fock-Slater calculations on the geometric and electronic structure of neutral and multiply charged C-60 fullerenes
    Bastug, T
    Kurpick, P
    Meyer, J
    Sepp, WD
    Fricke, B
    Rosen, A
    PHYSICAL REVIEW B, 1997, 55 (08): : 5015 - 5020
  • [6] Crystal-chemical functions of [Hg2]2+ and [Hg3]4+ groups in inorganic structures
    S. V. Borisov
    S. A. Magarill
    G. V. Romanenko
    N. V. Pervukhina
    Journal of Structural Chemistry, 2000, 41 : 272 - 279
  • [7] Crystal-chemical functions of [Hg2]2+ and [Hg3]4+ groups in inorganic structures
    Borisov, SV
    Magarill, SA
    Romanenko, GV
    Pervukhina, NV
    JOURNAL OF STRUCTURAL CHEMISTRY, 2000, 41 (02) : 272 - 279
  • [8] All-electron Dirac-Fock-Roothaan calculations on the electronic structure of the GdF molecule
    Tatewaki, H
    Matsuoka, O
    JOURNAL OF CHEMICAL PHYSICS, 1997, 106 (11): : 4558 - 4565
  • [9] All-electron relativistic Dirac-Fock-Slater self-consistent-field calculations of the singly charged diatomic transition-metal- (Fe, Co, Ni, Cu, Zn) argon molecules
    Bastug, T.
    Sepp, W.-D.
    Fricke, B.
    Johnson, E.
    Barschick, C.M.
    Physical Review A. Atomic, Molecular, and Optical Physics, 1995, 52 (04):
  • [10] ALL-ELECTRON RELATIVISTIC DIRAC-FOCK-SLATER SELF-CONSISTENT-FIELD CALCULATIONS OF THE SINGLY CHARGED DIATOMIC TRANSITION-METAL-(FE,CO,NI,CU,ZN) ARGON MOLECULES
    BASTUG, T
    SEPP, WD
    FRICKE, B
    JOHNSON, E
    BARSHICK, CM
    PHYSICAL REVIEW A, 1995, 52 (04): : 2734 - 2736