FLOATING SPHERICAL GAUSSIAN ORBITAL (FSGO) STUDIES WITH A MODEL POTENTIAL - SOME OPEN-SHELL SYSTEMS

被引：1
|
作者：
MEHANDRU, SP
RAY, NK
机构：
来源：
CHEMICAL PHYSICS LETTERS | 1978年 / 54卷 / 01期
关键词：
D O I：
10.1016/0009-2614(78)85659-0
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：42 / 44
页数：3
相关论文
共 50 条
  • [21] SINGLE-DETERMINANTAL OPEN-SHELL AND CLOSED-SHELL FSGO CALCULATIONS FOR SOME DIATOMIC-MOLECULES
    PAKIARI, AH
    LINNETT, JW
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1980, 18 (03) : 661 - 673
  • [22] MODEL POTENTIAL CALCULATIONS ON OPEN-SHELL MOLECULES
    BOTTCHER, C
    JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1973, 6 (11) : 2368 - 2376
  • [23] OPEN-SHELL STATE PARAMETERS FOR SYMMETRY DEGENERATE ORBITAL SYSTEMS
    DOMINGO, L
    BURGOS, JI
    QUANTUM CHEMISTRY : BASIC ASPECTS, ACTUAL TRENDS, 1989, 62 : 103 - 120
  • [24] Relativistic optimized potential method for open-shell systems
    Koedderitzsch, D.
    Ebert, H.
    Engel, E.
    PHYSICAL REVIEW B, 2008, 77 (04)
  • [25] Geometry Optimizations of Open-Shell Systems with the Fragment Molecular Orbital Method
    Pruitt, Spencer R.
    Fedorov, Dmitri G.
    Gordon, Mark S.
    JOURNAL OF PHYSICAL CHEMISTRY A, 2012, 116 (20): : 4965 - 4974
  • [26] OPEN-SHELL SCF CALCULATIONS WITH A MODEL POTENTIAL METHOD
    ISHIKAWA, Y
    THEORETICA CHIMICA ACTA, 1977, 43 (04): : 329 - 335
  • [27] d- and f-Orbital mixing in open-shell systems
    Stieber, S. Chantal
    Batista, Enrique
    Clark, David
    Loeble, Matthias
    Martin, Richard
    Minasian, Stefan
    Trujillo, Julie
    Kozimor, Stosh
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015, 249
  • [28] INTERACTIONS OF OPEN-SHELL SYSTEMS - RHF MOLECULAR POTENTIAL EQUATIONS
    JUNG, C
    SAUER, J
    CHEMICAL PHYSICS LETTERS, 1977, 46 (03) : 438 - 441
  • [29] Principal interacting spin orbital: understanding the fragment interactions in open-shell systems
    Sheong, Fu Kit
    Zhang, Jing-Xuan
    Lin, Zhenyang
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 22 (18) : 10076 - 10086
  • [30] A FLOATING SPHERICAL GAUSSIAN ORBITAL MODEL OF MOLECULAR STRUCTURE .4. HYDROCARBONS
    FROST, AA
    ROUSE, RA
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (08) : 1965 - &
12345