SIMPLE TEST OF UTILITY OF MODIFIED HARTREE-FOCK ORBITALS - HE ATOM

被引：1
|
作者：
PALTING, P
SANDERS, WA
机构：
[1] AM UNIV,DEPT CHEM,WASHINGTON,DC 20016
[2] CATHOLIC UNIV AMER,DEPT CHEM,WASHINGTON,DC 20017
来源：
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1973年 / 7卷 / 02期
关键词：
D O I：
10.1002/qua.560070212
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：301 / 307
页数：7
相关论文
共 50 条
  • [41] ATOM MODEL BASED ON HARTREE-FOCK DENSITY DISTRIBUTION
    BARAT, S
    PERIODICA POLYTECHNICA-ELECTRICAL ENGINEERING, 1968, 12 (01): : 51 - &
  • [42] FIXED CORE HARTREE-FOCK PROGRAM FOR CALCULATING BOUND AND CONTINUUM ORBITALS
    BATES, GN
    COMPUTER PHYSICS COMMUNICATIONS, 1974, 8 (03) : 220 - 235
  • [43] RELATION BETWEEN HARTREE-FOCK AND MAXIMUM OVERLAP MOLECULAR-ORBITALS
    JANOSCHEK, R
    ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1977, 32 (10): : 1188 - 1189
  • [44] LCAO WAVE FUNCTIONS FOR HYDROGEN FLUORIDE WITH HARTREE-FOCK ATOMIC ORBITALS
    KARO, AM
    ALLEN, LC
    JOURNAL OF CHEMICAL PHYSICS, 1959, 31 (04): : 968 - 977
  • [45] REAL ANALYTICITY AWAY FROM THE NUCLEUS OF PSEUDORELATIVISTIC HARTREE-FOCK ORBITALS
    Dall'Acqua, Anna
    Fournais, Soren
    Sorensen, Thomas Ostergaard
    Stockmeyer, Edgardo
    ANALYSIS & PDE, 2012, 5 (03): : 657 - 691
  • [46] Optimizing Hartree-Fock orbitals by the density-matrix renormalization group
    Luo, H. -G.
    Qin, M. -P.
    Xiang, T.
    PHYSICAL REVIEW B, 2010, 81 (23):
  • [47] EXPANSION OF HARTREE-FOCK ATOMIC ORBITALS BY A SMALL NUMBER OF GAUSSIAN FUNCTIONS
    KIKUCHI, O
    WANG, H
    NAKANO, T
    MORIHASHI, K
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1990, 64 : 301 - 315
  • [48] LOCAL POLARIZABILITY CALCULATIONS WITH LOCALIZED ORBITALS IN THE UNCOUPLED HARTREE-FOCK APPROXIMATION
    ASTRAND, PO
    KARLSTROM, G
    MOLECULAR PHYSICS, 1992, 77 (01) : 143 - 155
  • [49] Perturbative calculation of the Hartree-Fock interaction energy using orthogonalized orbitals
    Lukes, V
    Laurinc, V
    Biskupic, S
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1999, 75 (02) : 81 - 88
  • [50] Canonical form of the Hartree-Fock orbitals in open-shell systems
    Plakhutin, Boris N.
    Davidson, Ernest R.
    JOURNAL OF CHEMICAL PHYSICS, 2014, 140 (01):
12345