HARTREE-FOCK EQUATIONS FOR OPEN-SHELL STATES

被引:0
|
作者
SILVERSTONE, HJ [1 ]
机构
[1] JOHNS HOPKINS UNIV,DEPT CHEM,BALTIMORE,MD 21218
来源
JOURNAL OF CHEMICAL PHYSICS | 1977年 / 67卷 / 09期
关键词
D O I
暂无
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:4172 / 4180
页数:9
相关论文
共 50 条
  • [41] SPIN ADAPTED RESTRICTED HARTREE-FOCK REFERENCE COUPLED-CLUSTER THEORY FOR OPEN-SHELL SYSTEMS
    NEOGRADY, P
    URBAN, M
    HUBAC, I
    JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (05): : 3706 - 3716
  • [42] GRADIENT TECHNIQUES FOR OPEN-SHELL RESTRICTED HARTREE-FOCK AND MULTICONFIGURATION SELF-CONSISTENT-FIELD METHODS
    GODDARD, JD
    HANDY, NC
    SCHAEFER, HF
    JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (04): : 1525 - 1530
  • [43] Unique Solutions to Hartree-Fock Equations for Closed Shell Atoms
    Griesemer, Marcel
    Hantsch, Fabian
    ARCHIVE FOR RATIONAL MECHANICS AND ANALYSIS, 2012, 203 (03) : 883 - 900
  • [44] DERIVATION OF HARTREE-FOCK EQUATIONS
    MAYER, I
    ACTA PHYSICA ACADEMIAE SCIENTIARUM HUNGARICAE, 1971, 30 (04): : 373 - &
  • [45] SOLUTION OF HARTREE-FOCK EQUATIONS
    FONTE, G
    MIGNANI, R
    SCHIFFRER, G
    COMMUNICATIONS IN MATHEMATICAL PHYSICS, 1973, 33 (04) : 293 - 304
  • [46] A multiconfigurational time-dependent Hartree-Fock method for excited electronic states. I. General formalism and application to open-shell states
    Miranda, R. P.
    Fisher, A. J.
    Stella, L.
    Horsfield, A. P.
    JOURNAL OF CHEMICAL PHYSICS, 2011, 134 (24):
  • [47] RELATIVISTIC HARTREE-FOCK-ROOTHAAN THEORY FOR OPEN-SHELL ATOMS
    KAGAWA, T
    PHYSICAL REVIEW A, 1975, 12 (06): : 2245 - 2256
  • [48] A mathematical programming formulation for the Hartree–Fock problem on open-shell systems
    Leo Liberti
    Carlile Lavor
    Nelson Maculan
    Optimization Letters, 2019, 13 : 429 - 437
  • [49] HARTREE-FOCK ENERGIES OF L,S-MULTIPLETS OF OPEN-SHELL NA(N)-TYPE JELLIUM SPHERES
    GUISSANI, M
    SIDIS, V
    ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS, 1994, 29 (04): : 241 - 243
  • [50] OPEN-SHELL HARTREE-FOCK MOLECULAR ORBITAL THEORY OF TRANSITION METAL ION COMPLEXES - KNIF3
    ELLIS, DE
    FREEMAN, AJ
    ROS, P
    JOURNAL OF APPLIED PHYSICS, 1967, 38 (03) : 1051 - &