CRITICAL TEST OF EQUATION-OF-MOTION GREENS-FUNCTION METHODS .2. COMPARISON WITH CONFIGURATION-INTERACTION RESULTS

被引:31
作者
HERMAN, MF
FREED, KF
YEAGER, DL
LIU, B
机构
[1] UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637
[2] TEXAS A&M UNIV,DEPT CHEM,COLLEGE STN,TX 77843
[3] IBM CORP,RES LAB,SAN JOSE,CA 95193
关键词
D O I
10.1063/1.438951
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:611 / 620
页数:10
相关论文
共 31 条
[1]   ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .3. A HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR N2(X1SIGMAG+) AND N2+(X2SIGMAG+A 2PIU B2SIGMAU+) MOLECULAR IONS [J].
CADE, PE ;
SALES, KD ;
WAHL, AC .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (05) :1973-&
[2]  
Cederbaum L.S., 1977, ADV CHEM PHYS, V36, P205, DOI [DOI 10.1002/9780470142554.ch4, 10.1002/9780470142554.ch4]
[3]  
CEDERBAUM LS, COMMUNICATION
[4]   PERTURBATION CORRECTIONS TO KOOPMANS THEOREM .1. DOUBLE-ZETA SLATER-TYPE-ORBITAL BASIS [J].
CHONG, DP ;
HERRING, FG ;
MCWILLIAMS, D .
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (01) :78-84
[5]   PERTURBATION CORRECTIONS TO KOOPMANS THEOREM .4. ENERGY-SHIFTED PERTURBATION-THEORY [J].
CHONG, DP ;
TAKAHATA, Y .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1977, 12 (03) :549-559
[6]   APPLICATION OF PERTURBATION-THEORY IN LARGE CONFIGURATION INTERACTION CALCULATIONS [J].
FORTUNE, PJ ;
ROSENBERG, BJ .
CHEMICAL PHYSICS LETTERS, 1976, 37 (01) :110-114
[7]   WAVEFUNCTION APPROACH TO EQUATIONS OF MOTION GREENS FUNCTION METHODS [J].
FREED, KF ;
YEAGER, DL .
CHEMICAL PHYSICS, 1977, 22 (03) :401-414
[8]   MANY-BODY THEORIES OF ELECTRONIC STRUCTURE OF ATOMS AND MOLECULES [J].
FREED, KF .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1971, 22 :313-&
[9]  
Gershgorn Z., 1968, INT J QUANTUM CHEM, V2, P751
[10]   CRITICAL ANALYSIS OF EQUATIONS-OF-MOTION-GREENS FUNCTION METHOD - IONIZATION-POTENTIALS OF N-2 [J].
HERMAN, MF ;
YEAGER, DL ;
FREED, KF ;
MCKOY, V .
CHEMICAL PHYSICS LETTERS, 1977, 46 (01) :1-7