MODIFIED HO FOR EPSTEIN-NESBET RAYLEIGH-SCHRODINGER PERTURBATION-THEORY

被引：17

作者：

DAVIDSON, ER

NITZSCHE, LE

MCMURCHIE, LE

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1979年 / 62卷 / 03期

关键词：

D O I：

10.1016/0009-2614(79)80742-3

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

页码：467 / 468

页数：2

共 10 条

[1] THEORY OF PROTON HYPERFINE SPLITTINGS OF PI-ELECTRON FREE RADICALS .I. CH FRAGMENT [J].

CHANG, SY ;

DAVIDSON, ER ;

VINCOW, G .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (02) :529-&

[2] CALCULATION OF NATURAL ORBITALS AND WAVEFUNCTIONS BY PERTURBATION THEORY [J].

DAVIDSON, ER .

JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (07) :3169-&

[3]

DAVIDSON ER, 1978, CHEM PHYS LETT, V58, P171

[4]

Gershgorn Z., 1968, INT J QUANTUM CHEM, V2, P751

[5] GENERAL 2ND-ORDER PERTURBATION TREATMENT OF SIGMA SPIN DENSITIES IN PLANAR CONJUGATED PI RADICALS [J].

MALRIEU, JP .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (05) :1654-&

[6] CONFIGURATION INTERACTION IN ORBITAL THEORIES [J].

NESBET, RK .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1955, 230 (1182) :312-321

[7] EXCITED ELECTRONIC STATES OF 1,3-BUTADIENE [J].

NESBET, RK .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1955, 230 (1182) :322-330

[8] PERTURBATION-THEORY CALCULATION ON PI-1-PI-STAR STATE OF FORMAMIDE [J].

NITZSCHE, LE ;

DAVIDSON, ER .

JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (07) :3103-3109

[9] EFFICIENT METHOD FOR LARGE-SCALE CONFIGURATION INTERACTION CALCULATIONS [J].

SEGAL, GA ;

WETMORE, RW .

CHEMICAL PHYSICS LETTERS, 1975, 32 (03) :556-560

[10]

[No title captured]

← 1 →