CLUSTER-EXPANSION OF THE WAVEFUNCTION - SPIN AND ELECTRON CORRELATIONS IN DOUBLET RADICALS STUDIED BY THE SYMMETRY ADAPTED CLUSTER AND SYMMETRY ADAPTED CLUSTER CONFIGURATION-INTERACTION THEORIES

被引：46

作者：

NAKATSUJI, H

OHTA, K

YONEZAWA, T

机构：

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1983年 / 87卷 / 16期

关键词：

D O I：

10.1021/j100239a022

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：3068 / 3074

页数：7

共 68 条

[1] NON-EMPIRICAL CALCULATIONS ON THE CONFORMATION AND HYPERFINE-STRUCTURE OF THE SILYL RADICAL - INFLUENCE OF VIBRATIONAL EFFECTS [J].

BARONE, V ;

DOUADY, J ;

ELLINGER, Y ;

SUBRA, R ;

PAUZAT, F .

CHEMICAL PHYSICS LETTERS, 1979, 65 (03) :542-548

[2]

BENDER CF, 1969, PHYS REV, V183, P292

[3] AN INDO-MOLECULAR ORBITAL STUDY OF VIBRONIC EFFECTS IN ISOTOPICALLY SUBSTITUTED METHYL RADICALS [J].

BEVERIDG.DL ;

MILLER, K .

MOLECULAR PHYSICS, 1968, 14 (05) :401-&

[4] APPLICATION OF GREENS FUNCTIONS TO EXCITATIONS ACCOMPANYING PHOTOIONIZATION IN ATOMS AND MOLECULES [J].

CEDERBAUM, LS .

MOLECULAR PHYSICS, 1974, 28 (02) :479-493

[5] MANY-BODY APPROACH TO ATOMIC HYPERFINE PROBLEM .I. LITHIUM-ATOM GROUND STATE [J].

CHANG, ES ;

PU, RT ;

DAS, TP .

PHYSICAL REVIEW, 1968, 174 (01) :1-&

[6] THEORY OF HYPERFINE SPLITTINGS OF PI-ELECTRON FREE RADICALS .3. METHYL RADICAL IN PYRAMIDAL CONFIGURATION - TEMPERATURE DEPENDENCE OF HYPERFINE SPLITTINGS [J].

CHANG, SY ;

DAVIDSON, ER ;

VINCOW, G .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (11) :5596-&

[7] THEORY OF HYPERFINE SPLITTINGS OF PI-ELECTRON FREE RADICALS .2. NONEMPIRICAL CALCULATIONS OF METHYL RADICAL (PLANAR) [J].

CHANG, SY ;

DAVIDSON, ER ;

VINCOW, G .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (04) :1740-&

[8] ABINITIO CALCULATION OF SPIN-DENSITIES IN HYDROCARBON RADICALS [J].

CHIPMAN, DM .

JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (02) :761-768

[9] ITERATIVE CALCULATION OF A FEW OF LOWEST EIGENVALUES AND CORRESPONDING EIGENVECTORS OF LARGE REAL-SYMMETRIC MATRICES [J].

DAVIDSON, ER .

JOURNAL OF COMPUTATIONAL PHYSICS, 1975, 17 (01) :87-94

[10]

Dunning T. H. J., 1977, MODERN THEORETICAL C, P1, DOI DOI 10.1007/978-1-4757-0887-5_1

← 1 2 3 4 5 6 7 →