EFFECTS OF DOUBLY-EXCITED CONFIGURATIONS IN P-P-P-CI CALCULATION

被引：13

作者：

SHINODA, H ^{[1
]}

TATEMATS.H ^{[1
]}

MIYAZAKI, T ^{[1
]}

机构：

[1] WASEDA UNIV, FAC SCI & ENGN, DEPT APPL CHEM, NISHI-OHKUBO, SHINJUKU 160, TOKYO, JAPAN

来源：

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN | 1973年 / 46卷 / 10期

关键词：

D O I：

10.1246/bcsj.46.2950

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：2950 / 2955

页数：6

共 15 条

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[4]

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[5]

BEVERIDGE DL, 1971, J AM CHEM SOC, V93, P3107, DOI 10.1021/ja00742a002

[6] IMPORTANCE OF DOUBLY EXCITED CONFIGURATIONS IN SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS [J].

EVLETH, EM .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (10) :4151-&

[7] ELECTRONIC STRUCTURES OF UNSATURATED MOLECULES CONTAINING HETERO-ATOMS - CONFIGURATION INTERACTION TREATMENT INCLUDING DOUBLY EXCITED CONFIGURATIONS [J].

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NAGAKURA, S .

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1970, 43 (04) :1010-+

[8] EFFECTS OF DOUBLY EXCITED CONFIGURATIONS IN SEMI-EMPIRICAL MOLECULAR ORBITAL CALCULATIONS ON NON-ALTERNANT HYDROCARBONS [J].

KASHIWAGI, H .

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1971, 44 (03) :624-+

[9] IMPORTANCE OF DOUBLY EXCITED CONFIGURATIONS IN THE INTERPRETATION OF ELECTRONIC SPECTRA [J].

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Nishimoto K., 1957, Z PHYS CHEM FRANKFUR, V12, P335, DOI 10.1524/zpch.1957.12.5_6.335

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