THE USE OF GAUSSIAN (EXPONENTIAL QUADRATIC) WAVE FUNCTIONS IN MOLECULAR PROBLEMS .1. GENERAL FORMULAE FOR THE EVALUATION OF INTEGRALS

被引：268
作者：
SINGER, K
机构：
来源：
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES | 1960年 / 258卷 / 1294期
关键词：
D O I：
10.1098/rspa.1960.0196
中图分类号：
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号：
07 ; 0710 ; 09 ;
摘要：
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页码：412 / 420
页数：9
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[1]   THE INTEGRAL FORMULAE FOR THE VARIATIONAL SOLUTION OF THE MOLECULAR MANY-ELECTRON WAVE EQUATION IN TERMS OF GAUSSIAN FUNCTIONS WITH DIRECT ELECTRONIC CORRELATION [J].
BOYS, SF .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1960, 258 (1294) :402-411
[2]   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
[3]   THE MOLECULAR ORBITAL THEORY OF CHEMICAL VALENCY .16. A THEORY OF PAIRED-ELECTRONS IN POLYATOMIC MOLECULES [J].
HURLEY, AC ;
LENNARDJONES, J ;
POPLE, JA .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1953, 220 (1143) :446-455
[4]   THE USE OF GAUSSIAN (EXPONENTIAL QUADRATIC) WAVE FUNCTIONS IN MOLECULAR PROBLEMS .2. WAVE FUNCTIONS FOR THE GROUND STATES OF THE HYDROGEN ATOM AND OF THE HYDROGEN MOLECULE [J].
LONGSTAFF, JVL ;
SINGER, K .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1960, 258 (1294) :421-430
[5]   ELECTRONIC ENERGY LEVELS OF MOLECULAR OXYGEN [J].
MECKLER, A .
JOURNAL OF CHEMICAL PHYSICS, 1953, 21 (10) :1750-1761
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