CONTINUUM HARTREE-FOCK SCHEME FOR 1-D ORGANIC POLYMERS

被引：6
|
作者：
ASLANGUL, C
SAINTJAMES, D
机构：
来源：
JOURNAL DE PHYSIQUE | 1984年 / 45卷 / 09期
关键词：
D O I：
10.1051/jphys:019840045090140100
中图分类号：
学科分类号：
摘要：
12
引用
收藏
页码：1401 / 1407
页数：7
相关论文
共 50 条
  • [41] THEORY OF UNRESTRICTED HARTREE-FOCK EQUATION AND ITS SOLUTIONS .1.
    FUKUTOME, H
    PROGRESS OF THEORETICAL PHYSICS, 1971, 45 (05): : 1382 - &
  • [42] APPROXIMATE TREATMENT OF 1S HARTREE-FOCK ENERGIES IN MOLECULES
    SHANSHAL, M
    ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1974, A 29 (05): : 756 - 762
  • [43] CONVERGENCE DIFFICULTIES IN SOLUTION OF HARTREE-FOCK EQUATIONS FOR EXCITED D AND F ELECTRONS
    GRIFFIN, DC
    COWAN, RD
    BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1970, 15 (01): : 82 - &
  • [44] HARTREE-FOCK APPROXIMATION FOR D-DIMENSIONAL 2-ELECTRON ATOMS
    LOESER, JG
    HERSCHBACH, DR
    JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (07): : 3893 - 3900
  • [45] SOME HARTREE-FOCK RESULTS FOR (3D+4S)Q+1 CONFIGURATIONS
    FISCHER, CF
    CANADIAN JOURNAL OF PHYSICS, 1971, 49 (09) : 1205 - &
  • [46] MULTIPOLE EXPANSION IN TIGHT-BINDING HARTREE-FOCK CALCULATIONS FOR INFINITE-MODEL POLYMERS
    DELHALLE, J
    PIELA, L
    BREDAS, JL
    ANDRE, JM
    PHYSICAL REVIEW B, 1980, 22 (12): : 6254 - 6267
  • [47] Dispersion Corrected Hartree-Fock and Density Functional Theory for Organic Crystal Structure Prediction
    Brandenburg, Jan Gerit
    Grimme, Stefan
    PREDICTION AND CALCULATION OF CRYSTAL STRUCTURES: METHODS AND APPLICATIONS, 2014, 345 : 1 - 23
  • [48] Crystal orbital calculation of coupled Hartree-Fock dynamic (hyper)polarizabilities for prototype π-conjugated polymers
    Gu, FL
    Bishop, DM
    Kirtman, B
    JOURNAL OF CHEMICAL PHYSICS, 2001, 115 (22): : 10548 - 10556
  • [49] Unrestricted Hartree-Fock band structure calculations for polymers: Application to a cross-talk system
    Poulsen, TD
    Mikkelsen, KV
    Fripiat, JG
    Champagne, B
    JOURNAL OF CHEMICAL PHYSICS, 2000, 113 (14): : 5958 - 5964
  • [50] Effect of Hartree-Fock exact exchange on intramolecular magnetic coupling constants of organic diradicals
    Cho, Daeheum
    Ko, Kyoung Chul
    Ikabata, Yasuhiro
    Wakayama, Kazufumi
    Yoshikawa, Takeshi
    Nakai, Hiromi
    Lee, Jin Yong
    JOURNAL OF CHEMICAL PHYSICS, 2015, 142 (02):
12345