3RD-ORDER ENERGY USING CNDO-2 AND INDO HAMILTONIAN APPROXIMATIONS IN THE MODIFIED PCILO METHOD

被引:17
作者
BOCA, R
机构
关键词
D O I
10.1135/cccc19793041
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:3041 / 3071
页数:31
相关论文
共 58 条
[1]   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
[2]   COMPARISON OF HIGH-ORDER MANY-BODY PERTURBATION-THEORY AND CONFIGURATION INTERACTION FOR H2O [J].
BARTLETT, RJ ;
SHAVITT, I .
CHEMICAL PHYSICS LETTERS, 1977, 50 (02) :190-198
[3]  
BARTLETT RJ, 1975, INT J QUANTUM CHEM, P183
[4]   MAXIMUM OVERLAP APPROXIMATION CALCULATIONS ON POLYATOMIC-MOLECULES .1. EMOA METHOD [J].
BOCA, R ;
PELIKAN, P ;
VALKO, L ;
MIERTUS, S .
CHEMICAL PHYSICS, 1975, 11 (02) :229-236
[5]   MODIFIED PCILO METHOD .1. 2ND-ORDER ENERGY USING CNDO-2 AND INDO HAMILTONIAN APPROXIMATIONS [J].
BOCA, R ;
PELIKAN, P .
THEORETICA CHIMICA ACTA, 1978, 50 (01) :11-19
[6]  
BOCA R, UNPUBLISHED
[7]  
BOCA R, 1976, THESIS SLOVAK I TECH
[8]  
BOCA R, INT J QUANTUM CHEM
[9]  
BOCA R, CHEM ZVESTI
[10]  
BOYS SF, 1960, REV MOD PHYS, V32, P269