COUPLED-PAIR APPROXIMATION IN A BASIS OF INDEPENDENT-PAIR NATURAL ORBITALS

被引：82

作者：

TAYLOR, PR

BACSKAY, GB

HUSH, NS

HURLEY, AC

机构：

[1] UNIV SYDNEY,DEPT THEORET CHEM,SYDNEY 2006,NEW S WALES,AUSTRALIA

[2] CSIRO,DIV CHEM PHYS,CLAYTON 3168,VICTORIA,AUSTRALIA

来源：

CHEMICAL PHYSICS LETTERS | 1976年 / 41卷 / 03期

关键词：

D O I：

10.1016/0009-2614(76)85390-0

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：444 / 449

页数：6

相关论文

共 11 条

[1] PNO-CI (PAIR NATURAL ORBITAL CONFIGURATION INTERACTION) AND CEPA-PNO (COUPLED ELECTRON PAIR APPROXIMATION WITH PAIR NATURAL ORBITALS) CALCULATIONS OF MOLECULAR SYSTEMS .1. OUTLINE OF METHOD FOR CLOSED-SHELL STATES
AHLRICHS, R
LISCHKA, H
STAEMMLER, V
KUTZELNIGG, W
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (04) : 1225 - 1234
[2] Cizek J., 1971, International Journal of Quantum Chemistry, V5, P359, DOI 10.1002/qua.560050402
[3] CIZEK J, 1966, J CHEM PHYS, V45, P4256
[4] HURLEY AC, 1976, ELECTRON CORRELATION
[5] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I.
HUZINAGA, S
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) : 1293 - &
[6] KELLY HP, 1969, ADV CHEM PHYS, V14, P129
[7] PERTURBATION-THEORY OF ELECTRON CORRELATION
KUTZELNIGG, W
[J]. CHEMICAL PHYSICS LETTERS, 1975, 35 (02) : 283 - 285
[8] PNO-CI STUDIES OF ELECTRON CORRELATION EFFECTS .1. CONFIGURATION EXPANSION BY MEANS OF NONORTHOGONAL ORBITALS, AND APPLICATION TO GROUND-STATE AND IONIZED STATES OF METHANE
MEYER, W
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (03) : 1017 - 1035
[9] Meyer W., 1971, INT J QUANTUM CHEM, V5, P341, DOI [10.1002/qua.560050839, DOI 10.1002/QUA.560050839]
[10] Pipano A., 1968, INT J QUANTUM CHERN, V2, P741, DOI [10.1002/qua.560020602, DOI 10.1002/QUA.560020602]