PERTURBATION CALCULATION OF MOLECULAR CORRELATION ENERGY USING GAUSSIAN-TYPE GEMINALS - 2ND-ORDER PAIR ENERGIES OF LIH AND BH

被引:48
作者
ADAMOWICZ, L [1 ]
SADLEJ, AJ [1 ]
机构
[1] POLISH ACAD SCI,INST ORGAN CHEM,PL-01224 WARSAW 42,POLAND
关键词
D O I
10.1063/1.437120
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:3992 / 4000
页数:9
相关论文
共 58 条
[1]  
ADAMOWICZ L, 1978, ACTA PHYS POL A, V53, P471
[2]   2ND-ORDER CORRELATION CORRECTION TO COUPLED HARTREE-FOCK POLARIZABILITY OF BE [J].
ADAMOWICZ, L ;
SADLEJ, AJ .
CHEMICAL PHYSICS LETTERS, 1978, 53 (02) :377-381
[3]   GAUSSIAN GEMINAL BASIS SET OPTIMIZATION WITH CRUDE SCF REFERENCE STATE [J].
ADAMOWICZ, L ;
SADLEJ, AJ .
CHEMICAL PHYSICS LETTERS, 1977, 48 (02) :305-310
[4]  
ADAMOWICZ L, 1977, J CHEM PHYS, V67, P4298, DOI 10.1063/1.435370
[5]  
ADAMOWICZ L, ACTA PHYS POLON
[6]   MANY-BODY PERTURBATION-THEORY APPLIED TO ELECTRON PAIR CORRELATION ENERGIES .1. CLOSED-SHELL FIRST-ROW DIATOMIC HYDRIDES [J].
BARTLETT, RJ ;
SILVER, DM .
JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (08) :3258-3268
[7]   STUDIES IN CONFIGURATION INTERACTION - FIRST-ROW DIATOMIC HYDRIDES [J].
BENDER, CF ;
DAVIDSON, ER .
PHYSICAL REVIEW, 1969, 183 (01) :23-&
[8]   THE INTEGRAL FORMULAE FOR THE VARIATIONAL SOLUTION OF THE MOLECULAR MANY-ELECTRON WAVE EQUATION IN TERMS OF GAUSSIAN FUNCTIONS WITH DIRECT ELECTRONIC CORRELATION [J].
BOYS, SF .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1960, 258 (1294) :402-411
[9]   CORRELATION EFFECTS IN ATOMS .2. ANGULAR CORRELATIONS BETWEEN ELECTRONS [J].
BYRON, FW ;
JOACHAIN, CJ .
PHYSICAL REVIEW, 1967, 157 (01) :1-&
[10]   CORRELATION EFFECTS IN ATOMS .I. HELIUM [J].
BYRON, FW ;
JOACHAIN, CJ .
PHYSICAL REVIEW, 1966, 146 (01) :1-&