EFFECTS OF OUTER-SHELL ORBITALS ON HARTREE-FOCK ENERGIES

被引：0
|
作者：
NAKATSUJI, H [1 ]
MUSHER, JI [1 ]
机构：
[1] YESHIVA UNIV, BELFER GRAD SCH SCI, NEW YORK, NY 10033 USA
来源：
CHEMICAL PHYSICS LETTERS | 1974年 / 24卷 / 01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：77 / 80
页数：4
相关论文
共 50 条
  • [1] OPTIMIZATION OF TRANSFERABILITY OF ATOMIC HARTREE-FOCK VALENCE SHELL ORBITALS
    ADAMS, WH
    JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (06): : 2340 - &
  • [2] VIRTUAL ORBITALS IN HARTREE-FOCK THEORY
    HUZINAGA, S
    ARNAU, C
    PHYSICAL REVIEW A, 1970, 1 (05): : 1285 - &
  • [3] The nodes of Hartree-Fock wavefunctions and their orbitals
    Hachmann, J
    Galek, PTA
    Yanai, T
    Chan, GKL
    Handy, NC
    CHEMICAL PHYSICS LETTERS, 2004, 392 (1-3) : 55 - 61
  • [4] A perspective on the localizability of Hartree-Fock orbitals
    Hoyvik, Ida-Marie
    Kristensen, Kasper
    Kjaergaard, Thomas
    Jorgensen, Poul
    THEORETICAL CHEMISTRY ACCOUNTS, 2013, 133 (01) : 1 - 10
  • [5] Canonical form of the Hartree-Fock orbitals in open-shell systems
    Plakhutin, Boris N.
    Davidson, Ernest R.
    JOURNAL OF CHEMICAL PHYSICS, 2014, 140 (01):
  • [6] PARTNER ORBITALS IN HARTREE-FOCK THEORY
    HIRAO, K
    BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1980, 53 (08) : 2152 - 2158
  • [7] Strutinsky shell correction energies in relativistic Hartree-Fock theory
    Jiang, P.
    Niu, Z. M.
    Niu, Y. F.
    Long, W. H.
    PHYSICAL REVIEW C, 2018, 98 (06)
  • [8] HARTREE-FOCK OPERATORS TO IMPROVE VIRTUAL ORBITALS AND CONFIGURATION-INTERACTION ENERGIES
    PALMIERI, P
    TARRONI, R
    RETTRUP, S
    JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (08): : 5849 - 5856
  • [9] TRANSFERABILITY OF ATOMIC HARTREE-FOCK VALENCE-SHELL ORBITALS AND CHEMICAL PERIODICITY
    ADAMS, WH
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (08) : 2198 - +
  • [10] On the derivation of necessary conditions on Hartree-Fock orbitals
    Dahl, J. P.
    Johansen, H.
    Truax, D. R.
    Ziegler, T.
    CHEMICAL PHYSICS LETTERS, 1970, 6 (02) : 64 - 66
12345