GENERAL INTRODUCTION - COMPUTATIONAL QUANTUM-CHEMISTRY - 1984

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作者：

DAVIDSON, ER ^{[1
]}

机构：

[1] INDIANA UNIV, BLOOMINGTON, IN 47405 USA

来源：

FARADAY SYMPOSIA OF THE CHEMICAL SOCIETY | 1984年 / 19期

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页码：7 / 15

页数：9

共 59 条

[1] 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

[2] NATURAL ORBITAL BASED ENERGY CALCULATION FOR HELIUM HYDRIDE AND LITHIUM HYDRIDE [J].

BENDER, CF ;

DAVIDSON, ER .

JOURNAL OF PHYSICAL CHEMISTRY, 1966, 70 (08) :2675-&

[3]

Bernardi F., 1984, FARADAY S CHEM SOC, V19, P137

[4] ELECTRONIC WAVE FUNCTIONS .1. A GENERAL METHOD OF CALCULATION FOR THE STATIONARY STATES OF ANY MOLECULAR SYSTEM [J].

BOYS, SF .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1950, 200 (1063) :542-554

[5]

BROWNE JC, 1964, PHYS REV A-GEN PHYS, V135, P1227

[6] APPLICABILITY OF MULTI-REFERENCE DOUBLE-EXCITATION CI (MRD-CI) METHOD TO CALCULATION OF ELECTRONIC WAVEFUNCTIONS AND COMPARISON WITH RELATED TECHNIQUES [J].

BUENKER, RJ ;

PEYERIMHOFF, SD ;

BUTSCHER, W .

MOLECULAR PHYSICS, 1978, 35 (03) :771-791

[7] SN2 REACTION PROFILES IN THE GAS-PHASE AND AQUEOUS-SOLUTION [J].

CHANDRASEKHAR, J ;

SMITH, SF ;

JORGENSEN, WL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (10) :3049-3050

[8]

COLVIN ME, 1984, FARADAY S CHEM SOC, V19, P39

[9] PRESENT STATE OF MOLECULAR STRUCTURE CALCULATIONS [J].

COULSON, CA .

REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :170-177

[10] EXTENDED HARTREE-FOCK WAVENFUNCTIONS - OPTIMIZED VALENCE CONFIGURATIONS FOR H2 AND LI2 OPTIMIZED DOUBLE CONFIGURATIONS FOR F2 [J].

DAS, G ;

WAHL, AC .

JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (01) :87-&

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