EVALUATION OF MOLECULAR INTEGRALS BY GAUSSIAN EXPANSION METHOD WITH PARTICULAR REFERENCE TO ZERO-FIELD SPLITTING INTEGRALS

被引：6

作者：

ITO, H ^{[1
]}

IHAYA, YJ ^{[1
]}

机构：

[1] UNIV ELECTROCOMMUN,DEPT MAT SCI,CHOFU,TOKYO 182,JAPAN

来源：

关键词：

D O I：

10.1016/0009-2614(72)85094-2

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：

引用

页码：516 / 521

页数：6

共 16 条

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[2] DEJAGER G, 1971, THEOR CHIM ACTA, V20, P57
[3] STUDIES OF ZERO-FIELD SPLITTINGS IN AROMATIC MOLECULES
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[4] ANISOTROPY OF G-FACTOR FOR POLYCYCLIC HYDROCARBONS
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HARDISSO.A
[J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1964, 278 (1372) : 129 - +
[5] ITO H, TO BE PUBLISHED
[6] GAUSSIAN-TRANSFORM METHOD FOR MOLECULAR INTEGRALS .2. EVALUATION OF MOLECULAR PROPERTIES
KERN, CW
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (02) : 415 - &
[7] RELATIONSHIPS BETWEEN SPIN-SPIN AND ELECTRON REPULSION INTEGRALS
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KERN, CW
[J]. JOURNAL OF PHYSICS PART B ATOMIC AND MOLECULAR PHYSICS, 1971, 4 (08): : 1102 - &
[8] Matsuoka O., 1971, International Journal of Quantum Chemistry, V5, P1, DOI 10.1002/qua.560050102
[9] MATSUOKA O, PRIVATE COMMUNICATIO
[10] GAUSSIAN EXPANSIONS OF ATOMIC ORBITALS
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TAKETA, H
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[J]. JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1966, 21 (11) : 2306 - &