USE OF THE OVERLAP MULTIPOLE EXPANSION FOR APPROXIMATING MOLECULAR ELECTROSTATIC POTENTIALS

被引：50
|
作者：
GOLDBLUM, A
PERAHIA, D
PULLMAN, A
机构：
来源：
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1979年 / 15卷 / 01期
关键词：
D O I：
10.1002/qua.560150112
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：121 / 129
页数：9
相关论文
共 50 条
  • [21] EFFECT OF OVERLAP ON ELECTROSTATIC LATTICE POTENTIALS IN IONIC CRYSTALS
    BIRMAN, J
    PHYSICAL REVIEW, 1955, 97 (04): : 897 - 902
  • [22] An orbital-overlap complement to σ-hole electrostatic potentials
    Mehmood, Arshad
    Janesko, Benjamin G.
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2025, 27 (02) : 861 - 867
  • [23] CALCULATION OF ELECTROSTATIC LATTICE POTENTIALS, INCLUDING IONIC OVERLAP
    BIRMAN, J
    PHYSICAL REVIEW, 1954, 95 (02): : 618 - 618
  • [24] ALL VALENCE ELECTRON WAVEFUNCTIONS AND ELECTROSTATIC MOLECULAR POTENTIALS UNDER ZERO DIFFERENTIAL OVERLAP APPROXIMATION
    CABALLOL, R
    GALLIFA, R
    MARTIN, M
    CARBO, R
    CHEMICAL PHYSICS LETTERS, 1974, 25 (01) : 89 - 91
  • [25] Multipole expansion of the electrostatic interaction between charged colloids at interfaces
    Dominguez, A.
    Frydel, D.
    Oettel, M.
    PHYSICAL REVIEW E, 2008, 77 (02):
  • [26] Improved convergence of the 'atoms in molecules' multipole expansion of electrostatic interaction
    Joubert, L
    Popelier, PLA
    MOLECULAR PHYSICS, 2002, 100 (21) : 3357 - 3365
  • [27] METHOD OF MOMENTS AND THE USE OF MULTIPOLE EXPANSION
    ANDERSSON, T
    JOURNAL OF ELECTROMAGNETIC WAVES AND APPLICATIONS, 1991, 5 (11) : 1237 - 1257
  • [28] The gauge freedoms of enlarged Helmholtz theorem and Debye potentials; their use in the multipole expansion of conserved current
    Bukina, Elena N.
    Dubovik, Vladimir M.
    Turkish Journal of Physics, 23 (05): : 927 - 935
  • [29] Softened electrostatic molecular potentials
    Besalu, Emili
    Carbo-Dorca, Ramon
    JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2013, 39 : 39 - 49
  • [30] APPROXIMATION OF MOLECULAR ELECTROSTATIC POTENTIALS
    KOSTER, AM
    KOLLE, C
    JUG, K
    JOURNAL OF CHEMICAL PHYSICS, 1993, 99 (02): : 1224 - 1229
12345