POLYATOMIC SCF CALCULATIONS UTILIZING ANISOTROPIC BASIS SETS OF SLATER-TYPE ORBITALS

被引：63
|
作者：
SWITKES, E
STEVENS, RM
LIPSCOMB, WN
机构：
来源：
JOURNAL OF CHEMICAL PHYSICS | 1969年 / 51卷 / 12期
关键词：
D O I：
10.1063/1.1671937
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：5229 / &
相关论文
共 50 条
  • [1] Basis sets of gaussian and Slater-type atomic orbitals
    Silver, D. M.
    CHEMICAL PHYSICS LETTERS, 1970, 7 (05) : 511 - 516
  • [2] Polarized basis sets of Slater-type orbitals:: H to Ne atoms
    Ema, I
    De la Vega, JMG
    Ramírez, G
    López, R
    Rico, JF
    Meissner, H
    Paldus, J
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2003, 24 (07) : 859 - 868
  • [3] Calculations on diatomic molecules with slater-type orbital basis sets
    Bouferguene, A
    Etemadi, B
    Jones, HW
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1998, 70 (01) : 89 - 93
  • [4] Reference program for molecular calculations with Slater-type orbitals
    Rico, JF
    López, R
    Aguado, A
    Ema, I
    Ramírez, G
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 1998, 19 (11) : 1284 - 1293
  • [5] New program for molecular calculations with Slater-type orbitals
    Rico, JF
    López, R
    Aguado, A
    Ema, I
    Ramírez, G
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2001, 81 (02) : 148 - 153
  • [6] Convergence of Slater-Type Orbitals in Calculations of Basic Molecular Integrals
    Selda Akdemir
    Iranian Journal of Science and Technology, Transactions A: Science, 2018, 42 : 1613 - 1621
  • [7] Convergence of Slater-Type Orbitals in Calculations of Basic Molecular Integrals
    Akdemir, Selda
    IRANIAN JOURNAL OF SCIENCE AND TECHNOLOGY TRANSACTION A-SCIENCE, 2018, 42 (A3): : 1613 - 1621
  • [8] MOMENTUM REPRESENTATION OF SLATER-TYPE ORBITALS
    KOMAROV, FF
    TEMKIN, MM
    JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1976, 9 (10) : L255 - L258
  • [9] TRANSLATION OF SLATER-TYPE ATOMIC ORBITALS
    ENGLAND, W
    RUEDENBERG, K
    JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (05): : 2291 - +
  • [10] Accurate Calculations of Dynamic First Hyperpolarizability: Construction of Physically Justified Slater-Type Basis Sets
    Rossikhin, Vladimir
    Voronkov, Eugene
    Okovytyy, Sergiy
    Sergeieva, Tetiana
    Kapusta, Karina
    Leszczynski, Jerzy
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2014, 114 (11) : 689 - 695
12345