NON-EMPIRICAL LCAO-MO-SCF-CI CALCULATIONS ON ORGANIC MOLECULES WITH GAUSSIAN TYPE FUNCTIONS .I. INTRODUCTORY REVIEW AND MATHEMATICAL FORMALISM

被引：122

作者：

CSIZMADI.IG

HARRISON, MC

MOSKOWIT.JW

SUTCLIFF.BT

机构：

来源：

THEORETICA CHIMICA ACTA | 1966年 / 6卷 / 03期

关键词：

D O I：

10.1007/BF02394698

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：

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页码：191 / &

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共 59 条

[1] BASIS FUNCTIONS FOR ABINITIO CALCULATIONS
ALLEN, LC
KARO, AM
[J]. REVIEWS OF MODERN PHYSICS, 1960, 32 (02) : 275 - 285
[2] MECHANIZED MOLECULAR CALCULATIONS - POLYATOM SYSTEM
BARNETT, MP
[J]. REVIEWS OF MODERN PHYSICS, 1963, 35 (03) : 571 - &
[3] THE EVALUATION OF INTEGRALS OCCURRING IN THE THEORY OF MOLECULAR STRUCTURE .1.2.
BARNETT, MP
COULSON, CA
[J]. PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1951, 243 (864) : 221 - 249
[4] SIMPLE ONE-CENTRE CALCULATION OF BREATHING FORCE CONSTANTS AND EQUILIBRIUM INTERNUCLEAR DISTANCES FOR NH3, H2O AND HF
BISHOP, DM
HOYLAND, JR
PARR, RG
[J]. MOLECULAR PHYSICS, 1963, 6 (05) : 467 - 476
[5] MATHEMATICAL PROBLEMS IN THE COMPLETE QUANTUM PREDICTIONS OF CHEMICAL PHENOMENA
BOYS, SF
COOK, GB
[J]. REVIEWS OF MODERN PHYSICS, 1960, 32 (02) : 285 - 295
[6] BOYS SF, 1950, P ROY SOC LONDON, VA200, P542
[7] BOYS SF, 1960, P ROY SOC LONDON, VA258, P402
[8] QUANTUM-MECHANICAL INTEGRALS OVER GAUSSIAN ATOMIC ORBITALS
BROWNE, JC
POSHUSTA, RD
[J]. JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (07) : 1933 - &
[9] ACCURAT ANALYTICAL SELF-CONSISTENT FIELD FUNCTIONS FOR ATOMS .2. LOWEST CONFIGURATIONS OF NEUTRAL FIRST ROW ATOMS
CLEMENTI, E
YOSHIMINE, M
ROOTHAAN, CC
[J]. PHYSICAL REVIEW, 1962, 127 (05): : 1618 - &
[10] CRAIG DP, 1950, P ROY SOC LONDON, VA200, P474

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