A METHOD TO INCLUDE CERTAIN INFINITE-ORDER CONTRIBUTIONS IN A MULTICONFIGURATIONAL SELF-CONSISTENT FIELD (MCSCF) CALCULATION

被引:10
|
作者
IGAWA, A
YEAGER, DL
FUKUTOME, H
机构
[1] TEXAS A&M UNIV,DEPT CHEM,COLLEGE STN,TX 77843
[2] KYOTO UNIV,DEPT PHYS,KYOTO 606,JAPAN
来源
JOURNAL OF CHEMICAL PHYSICS | 1982年 / 76卷 / 11期
关键词
D O I
10.1063/1.442885
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:5388 / 5396
页数:9
相关论文
共 50 条
  • [41] SELF-CONSISTENT FIELD-THEORY AND CALCULATION FOR GYROMONOTRON
    LI, HF
    DU, PH
    XIE, ZL
    INTERNATIONAL JOURNAL OF INFRARED AND MILLIMETER WAVES, 1988, 9 (02): : 135 - 148
  • [42] A second-order, quadratically convergent multiconfigurational self-consistent field polarizable continuum model for equilibrium and nonequilibrium solvation
    Cammi, R
    Frediani, L
    Mennucci, B
    Tomasi, J
    Ruud, K
    Mikkelsen, KV
    JOURNAL OF CHEMICAL PHYSICS, 2002, 117 (01): : 13 - 26
  • [43] A linear response approach to second-order electronic transition intensities for multiconfigurational self-consistent field wave functions
    Stålring, J
    Bernhardsson, A
    Malmqvist, PÅ
    JOURNAL OF CHEMICAL PHYSICS, 2002, 117 (03): : 1010 - 1016
  • [44] SEPARATION OF THE LOCAL CONTRIBUTIONS TO THE TRANSITION MOMENTS AND THE POLARIZABILITY OF A MOLECULE IN THE SELF-CONSISTENT FIELD METHOD
    PEDASH, VF
    LUZANOV, AV
    JOURNAL OF STRUCTURAL CHEMISTRY, 1980, 21 (04) : 439 - 445
  • [45] Applying self-consistent method to calculation of concrete modulus
    Zhang, Qing-Hua
    Liu, Xi-La
    Zhu, Zhen-Yu
    Shanghai Jiaotong Daxue Xuebao/Journal of Shanghai Jiaotong University, 2001, 35 (10): : 1503 - 1506
  • [46] SELF-CONSISTENT FIELD METHOD AND THE BENZENE MOLECULE
    MUELLER, CR
    JOURNAL OF CHEMICAL PHYSICS, 1954, 22 (11): : 1950 - 1951
  • [47] PRINCIPLE OF COMPENSATION AND THE METHOD OF THE SELF-CONSISTENT FIELD
    BOGOLIUBOV, NN
    USPEKHI FIZICHESKIKH NAUK, 1959, 67 (04): : 549 - 580
  • [48] A SELF-CONSISTENT FIELD METHOD FOR GALACTIC DYNAMICS
    HERNQUIST, L
    OSTRIKER, JP
    ASTROPHYSICAL JOURNAL, 1992, 386 (02): : 375 - 397
  • [49] Self-consistent field method and non-self-consistent field method for calculating the positron lifetime
    Zhang Jie
    Liu Jian-Dang
    Chen Xiang-Lei
    Ye Bang-Jiao
    CHINESE PHYSICS B, 2010, 19 (11)
  • [50] Self-consistent field method and non-self-consistent field method for calculating the positron lifetime
    张杰
    刘建党
    陈祥磊
    叶邦角
    Chinese Physics B, 2010, (11) : 662 - 665