OPEN-SHELL GENERALIZED PERTURBATION-THEORY

被引:19
作者
FREED, KF
机构
[1] UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637
[2] UNIV CHICAGO,JAMES FRANCK INST,CHICAGO,IL
关键词
D O I
10.1016/0301-0104(74)80049-2
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:80 / 95
页数:16
相关论文
共 36 条
[1]   NATURE OF CONFIGURATION-INTERACTION METHOD IN AB-INITIO CALCULATIONS .1. NE GROUND STATE [J].
BARR, TL ;
DAVIDSON, ER .
PHYSICAL REVIEW A, 1970, 1 (03) :644-&
[2]   REDUCED PARTITIONING PROCEDURE IN CONFIGURATION INTERACTION STUDIES .2. EXCITED-STATES [J].
BARTLETT, RJ ;
BRANDAS, EJ .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (04) :2032-2042
[3]   CORRELATION EFFECTS IN ATOMS .3. 4-ELECTRON SYSTEMS [J].
BYRON, FW ;
JOACHAIN, CJ .
PHYSICAL REVIEW, 1967, 157 (01) :7-&
[4]   UNITARY TRANSFORMATIONS AND PAIR ENERGIES .3. RELATION TO PERTURBATION-THEORY [J].
DAVIDSON, ER ;
BENDER, CF .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (09) :4334-&
[6]   LIH POTENTIAL CURVES AND WAVEFUNCTIONS FOR X1SIGMA+, A1SIGMA+, B1PI,3SIGMA+, AND 3PI [J].
DOCKEN, KK ;
HINZE, J .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (11) :4928-&
[7]   LIH PROPERTIES, ROTATION-VIBRATIONAL ANALYSIS, AND TRANSITION MOMENTS FOR X1SIGMA+, A1SIGMA+, B1PI, 3SIGMA+, AND 3PI [J].
DOCKEN, KK ;
HINZE, J .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (11) :4936-&
[8]   CORRELATION EFFECTS IN NEUTRAL AND IONIZED GROUND-STATES OF ACETYLENE [J].
DUBEN, AJ ;
GOODMAN, L ;
PAMUK, HO ;
SINANOGLU, O .
THEORETICA CHIMICA ACTA, 1973, 30 (02) :177-190
[9]   SELECTION OF PROPER CANONICAL ORBITALS .2. WATER [J].
ELBERT, ST ;
DAVIDSON, ER ;
LANGHOFF, SR .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (05) :2005-&
[10]   Many-body perturbation theory and the variational pairs of quantum chemistry [J].
Freed, Karl F. .
CHEMICAL PHYSICS LETTERS, 1970, 4 (08) :496-500