EXTENDED HARTREE-FOCK METHOD USING CORRESPONDING ORBITALS - APPLICATION TO LITHIUM HYDRIDE

被引：8
|
作者：
BURDEN, FR
机构：
来源：
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1972年 / 6卷 / 04期
关键词：
D O I：
10.1002/qua.560060408
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：647 / &
相关论文
共 50 条
  • [1] VARIATIONAL METHOD FOR EXCITED HARTREE-FOCK ORBITALS
    CHEGLOKOV, EI
    ZELICHENKO, VM
    IZVESTIYA VYSSHIKH UCHEBNYKH ZAVEDENII FIZIKA, 1974, (03): : 65 - 68
  • [2] GRADIENT THEORY - ITS APPLICATION TO THE EXTENDED HARTREE-FOCK METHOD
    HANDY, NC
    RICE, JE
    QUANTUM CHEMISTRY : BASIC ASPECTS, ACTUAL TRENDS, 1989, 62 : 145 - 167
  • [3] VIRTUAL ORBITALS IN HARTREE-FOCK THEORY
    HUZINAGA, S
    ARNAU, C
    PHYSICAL REVIEW A, 1970, 1 (05): : 1285 - &
  • [4] 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
  • [5] 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
  • [6] PARTNER ORBITALS IN HARTREE-FOCK THEORY
    HIRAO, K
    BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1980, 53 (08) : 2152 - 2158
  • [7] USE OF GENERAL SPIN ORBITALS IN PROJECTED HARTREE-FOCK METHOD
    LUNELL, S
    CHEMICAL PHYSICS LETTERS, 1972, 13 (02) : 93 - &
  • [8] Beyond a Hartree-Fock description of crystalline solids: the case of lithium hydride
    Casassa, Silvia
    Halo, Migen
    Maschio, Lorenzo
    Roetti, Carla
    Pisani, Cesare
    THEORETICAL CHEMISTRY ACCOUNTS, 2007, 117 (5-6) : 781 - 791
  • [9] HARTREE-FOCK STUDY OF LITHIUM HYDRIDE WITH THE USE OF A POLARIZABLE BASIS SET
    DOVESI, R
    ERMONDI, C
    FERRERO, E
    PISANI, C
    ROETTI, C
    PHYSICAL REVIEW B, 1984, 29 (06): : 3591 - 3600
  • [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