RESTRICTED AND UNRESTRICTED HARTREE-FOCK CALCULATIONS FOR ATOMIC LITHIUM

被引:43
|
作者
NESBET, RK
WATSON, RE
机构
关键词
D O I
10.1016/0003-4916(60)90031-2
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
引用
收藏
页码:260 / 271
页数:12
相关论文
共 50 条
  • [1] RESTRICTED AND UNRESTRICTED HARTREE-FOCK CALCULATIONS ON THE GEOMETRY OF THE METHYL RADICAL
    PACANSKY, J
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (04): : 485 - 488
  • [2] UNRESTRICTED HARTREE-FOCK APPROACH TO CLUSTER CALCULATIONS - APPLICATION TO LITHIUM
    MARSHALL, RF
    BLINT, RJ
    KUNZ, AB
    [J]. PHYSICAL REVIEW B, 1976, 13 (08): : 3333 - 3338
  • [3] Restricted and unrestricted Hartree-Fock calculations of conductance for a quantum point contact
    Sushkov, OP
    [J]. PHYSICAL REVIEW B, 2003, 67 (19)
  • [4] SPIN CONTAMINATION IN UNRESTRICTED HARTREE-FOCK CALCULATIONS
    SCHUG, JC
    PHILLIPS, DH
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (04): : 1616 - 1624
  • [5] SIMULATION OF THE EXCHANGE POTENTIAL IN UNRESTRICTED AND RESTRICTED HARTREE-FOCK CALCULATIONS STUDIED ON ATOMS
    WIMMER, E
    [J]. THEORETICA CHIMICA ACTA, 1979, 51 (04): : 339 - 348
  • [6] Maximum Ionization in Restricted and Unrestricted Hartree-Fock Theory
    Cox, Hazel
    Melgaard, Michael
    Syrjanen, Ville J. J.
    [J]. ATOMS, 2021, 9 (01) : 1 - 29
  • [7] METHOD FOR CONVERGING RESTRICTED AND UNRESTRICTED HARTREE-FOCK WAVEFUNCTIONS
    MONTGOLFIER, PD
    HOAREAU, A
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (06): : 2477 - 2478
  • [8] PARTIALLY UNRESTRICTED HARTREE-FOCK CALCULATIONS OF LIGHT ATOMS
    PERKINS, JF
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (11): : 4184 - &
  • [9] UNRESTRICTED HARTREE-FOCK CALCULATIONS FOR A CLUSTER MODEL OF COO
    KLEIN, DL
    SURRATT, GT
    KUNZ, AB
    [J]. JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1979, 12 (19): : 3913 - 3919
  • [10] UNRESTRICTED HARTREE-FOCK CALCULATIONS ON CUBIC CARBON CLUSTERS
    GOLDSTEIN, S
    CURTISS, LA
    EUWEMA, RN
    [J]. BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1976, 21 (03): : 382 - 382