HARTREE-FOCK THEORY OF LOCAL REGIONS IN MOLECULES

被引:33
|
作者
PAYNE, PW
机构
[1] UNIV N CAROLINA, DEPT CHEM, CHAPEL HILL, NC 27514 USA
[2] PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
关键词
D O I
10.1021/ja00453a044
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:3787 / 3794
页数:8
相关论文
共 50 条
  • [31] HARTREE-FOCK THEORY OF MULTILAYER PHYSISORPTION
    KREUZER, HJ
    SUMMERSIDE, P
    TESHIMA, R
    [J]. APPLICATIONS OF SURFACE SCIENCE, 1982, 11-2 (JUL): : 812 - 818
  • [32] NUMERICAL HARTREE-FOCK AND CORRELATION CALCULATIONS FOR MOLECULES
    MORRISON, JC
    [J]. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS, 1989, 42 (04): : 557 - 562
  • [34] Hartree-Fock theory for double condensates
    Esry, BD
    Greene, CH
    Burke, JP
    Bohn, JL
    [J]. PHYSICAL REVIEW LETTERS, 1997, 78 (19) : 3594 - 3597
  • [35] ON THE STRUCTURE OF THE RELATIVISTIC HARTREE-FOCK THEORY
    SCHUTTE, D
    [J]. NUCLEAR PHYSICS A, 1983, 411 (03) : 369 - 381
  • [36] MOMENT OF INERTIA IN HARTREE-FOCK THEORY
    BANERJEE, MK
    DOLIVEIR.D
    STEPHENSON, GJ
    [J]. PHYSICAL REVIEW, 1969, 181 (04): : 1404 - +
  • [37] GENERALIZED PERTURBED HARTREE-FOCK THEORY
    ROSSKY, PJ
    KARPLUS, M
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (11): : 6085 - 6101
  • [38] PARTNER ORBITALS IN HARTREE-FOCK THEORY
    HIRAO, K
    [J]. BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1980, 53 (08) : 2152 - 2158
  • [39] LOCAL-DENSITY HARTREE-FOCK THEORY OF ELECTRONIC STATES OF MOLECULES WITH SELF-INTERACTION CORRECTION
    PEDERSON, MR
    HEATON, RA
    LIN, CC
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (05): : 1972 - 1975
  • [40] FULLY NUMERICAL HARTREE-FOCK METHODS FOR MOLECULES
    LAAKSONEN, L
    PYYKKO, P
    SUNDHOLM, D
    [J]. COMPUTER PHYSICS REPORTS, 1986, 4 (05): : 313 - 344