EXTENDED HARTREE-FOCK CALCULATIONS FOR GROUND STATE AND HARTREE-FOCK CALCULATIONS FOR FIRST EXCITED STATE OF H2

被引:39
作者
BOWMAN, JD
HIRSCHFE.JO
WAHL, AC
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关键词
D O I
10.1063/1.1674398
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:2743 / &
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共 18 条
[1]   WAVE FUNCTIONS OF THE HYDROGEN MOLECULAR ION [J].
BATES, DR ;
LEDSHAM, K ;
STEWART, AL .
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1953, 246 (911) :215-240
[2]  
BOWMAN JD, 1969, WISTCI373 WISC THEOR
[3]   CONFIGURATION INTERACTION APPLIED TO THE HYDROGEN MOLECULE [J].
CALLEN, E .
JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (02) :360-362
[4]   EXTENDED HARTREE-FOCK WAVEFUNCTIONS - GENERAL THEORY OF OPTIMIZED-VALENCE CONFIGURATIONS AND ITS APPLICATION TO DIATOMIC MOLECULES [J].
DAS, G ;
WAHL, AC .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (08) :2934-&
[5]   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-&
[6]   SINGLE-CONFIGURATION WAVEFUNCTIONS AND POTENTIAL CURVES FOR GROUND STATES OF HE2 NE2 AND AR2 [J].
GILBERT, TL ;
WAHL, AC .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (09) :3425-&
[7]  
Heitler W., 1927, Z PHYS, V44, P455, DOI [10.1007/BF01397394, DOI 10.1007/BF01397394]
[8]   LONG-RANGE INTERACTION OF 2 LS-HYDROGEN ATOMS EXPRESSED IN TERMS OF NATURAL SPIN-ORBITALS [J].
HIRSCHFELDER, JO ;
LOWDIN, PO .
MOLECULAR PHYSICS, 1959, 2 (03) :229-258
[9]  
HIRSCHFELDER JO, 1967, ADVAN CHEM PHYS, V12, P6
[10]   CONFIRMATION OF DISCREPANCY BETWEEN THEORETICAL AND EXPERIMENTAL GROUND-STATE ENERGIES OF H2 [J].
KOLOS, W ;
WOLNIEWICZ, L .
PHYSICAL REVIEW LETTERS, 1968, 20 (06) :243-+