SPIN-DENSITY OF RADICALS BY FINITE-FIELD MANY-BODY METHODS

被引:128
作者
SEKINO, H
BARTLETT, RJ
机构
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D O I
10.1063/1.448837
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 ;
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页码:4225 / 4229
页数:5
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[1]   MOLECULAR HYPERPOLARIZABILITIES .1. THEORETICAL CALCULATIONS INCLUDING CORRELATION [J].
BARTLETT, RJ ;
PURVIS, GD .
PHYSICAL REVIEW A, 1979, 20 (04) :1313-1322
[2]   MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER THEORY FOR ELECTRON CORRELATION IN MOLECULES [J].
BARTLETT, RJ .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1981, 32 :359-401
[3]  
BARTLETT RJ, UNPUB
[4]   PERTURBED HARTREE-FOCK THEORY .I. DIAGRAMMATIC DOUBLE-PERTURBATION ANALYSIS [J].
CAVES, TC ;
KARPLUS, M .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (09) :3649-&
[5]   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-&
[6]   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-&
[7]   THEORETICAL-STUDY OF THE PROPERTIES OF METHYL RADICAL [J].
CHIPMAN, DM .
JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (06) :3112-3132
[8]   ABINITIO CALCULATION OF SPIN-DENSITIES IN HYDROCARBON RADICALS [J].
CHIPMAN, DM .
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (02) :761-768
[10]   THEORETICAL-ANALYSIS OF LONG-RANGE HYPERFINE INTERACTIONS IN BICYCLIC FREE-RADICALS - APPLICATION CONDITIONS FOR W-RULES AND ANTI-W-RULES [J].
ELLINGER, Y ;
SUBRA, R ;
BERTHIER, G .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (16) :4961-4963