CORRELATION ENERGY OF OPEN-SHELL SYSTEMS - APPLICATION OF THE MANY-BODY RAYLEIGH-SCHRODINGER PERTURBATION-THEORY IN THE RESTRICTED ROOTHAAN-HARTREE-FOCK FORMALISM

被引：86

作者：

HUBAC, I ^{[1
]}

CARSKY, P ^{[1
]}

机构：

[1] CZECHOSLOVAK ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA

来源：

PHYSICAL REVIEW A | 1980年 / 22卷 / 06期

关键词：

D O I：

10.1103/PhysRevA.22.2392

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

引用

收藏

页码：2392 / 2399

页数：8

相关论文

共 20 条

[1] MANY-BODY PERTURBATION-THEORY, COUPLED-PAIR MANY-ELECTRON THEORY, AND IMPORTANCE OF QUADRUPLE EXCITATIONS FOR CORRELATION PROBLEM
BARTLETT, RJ
PURVIS, GD
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1978, 14 (05) : 561 - 581
[2] BARTLETT RJ, 1975, INT J QUANTUM CHEM, P183
[3] EFFECTS OF BASIS SET AND CONFIGURATION INTERACTION ON PREDICTED GEOMETRIES OF AH2 MOLECULES
BELL, S
[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (07) : 3014 - 3024
[4] GROUND (2A1) AND FIRST EXCITED (2B1)PI)) STATES OF CH2+ AND BH2
BENDER, CF
SCHAEFER, HF
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1971, 37 (03) : 423 - &
[5] GREENS FUNCTIONS FOR OPEN-SHELL ATOMS AND MOLECULES
CEDERBAUM, LS
SCHIRMER, J
[J]. ZEITSCHRIFT FUR PHYSIK, 1974, 271 (03): : 221 - 227
[6] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +
[7] GENERALIZATION OF DEWARS HALF-ELECTRON METHOD FOR CALCULATING ENERGIES OF OPEN-SHELL ELECTRONIC STATES
ELLISON, FO
MATHEU, FM
[J]. CHEMICAL PHYSICS LETTERS, 1971, 10 (03) : 322 - &
[8] EFFECT OF DISCONNECTED WAVEFUNCTION CLUSTERS OF DOUBLE EXCITATIONS ON THE CORRELATION ENERGY OF MOLECULES
HUBAC, I
URBAN, M
KELLO, V
[J]. CHEMICAL PHYSICS LETTERS, 1979, 62 (03) : 584 - 588
[9] HUBAC I, 1978, TOP CURR CHEM, V75, P97
[10] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I.
HUZINAGA, S
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) : 1293 - &