GAUSSIAN ORBITALS FOR MANY-ELECTRON MOLECULAR WAVE FUNCTIONS

被引:18
作者
ALLEN, LC
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D O I
10.1063/1.1732962
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:200 / &
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[1]   BASIS FUNCTIONS FOR ABINITIO CALCULATIONS [J].
ALLEN, LC ;
KARO, AM .
REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :275-285
[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]   LCAO WAVE FUNCTIONS FOR HYDROGEN FLUORIDE WITH HARTREE-FOCK ATOMIC ORBITALS [J].
KARO, AM ;
ALLEN, LC .
JOURNAL OF CHEMICAL PHYSICS, 1959, 31 (04) :968-977
[4]   USE OF GAUSSIAN WAVE FUNCTIONS IN MOLECULAR CALCULATIONS [J].
KIMBALL, GE ;
NEUMARK, GF .
JOURNAL OF CHEMICAL PHYSICS, 1957, 26 (05) :1285-1287
[5]   STUDIES OF ATOMIC SELF-CONSISTENT FIELDS - ANALYTIC WAVE FUNCTIONS FOR THE ARGON-LIKE IONS AND FOR THE 1ST ROW OF THE TRANSITION METALS [J].
LOWDIN, PO ;
APPEL, K .
PHYSICAL REVIEW, 1956, 103 (06) :1746-1755
[6]   GAUSSIAN APPROXIMATIONS TO WAVE FUNCTIONS [J].
MCWEENY, R .
NATURE, 1950, 166 (4209) :21-22
[7]   ELECTRONIC ENERGY LEVELS OF MOLECULAR OXYGEN [J].
MECKLER, A .
JOURNAL OF CHEMICAL PHYSICS, 1953, 21 (10) :1750-1761
[8]   GROUND STATE ELECTRONIC WAVE FUNCTION OF METHANE [J].
NESBET, RK .
JOURNAL OF CHEMICAL PHYSICS, 1960, 32 (04) :1114-1122
[9]   WHY NOT USE SLATER ORBITALS OF NONINTEGRAL PRINCIPAL QUANTUM NUMBER [J].
PARR, RG ;
JOY, HW .
JOURNAL OF CHEMICAL PHYSICS, 1957, 26 (02) :424-424