ABINITIO STUDY OF THE SPATIAL EXTENSION OF THE ETHYLENE V-STATE

被引：33

作者：

BUENKER, RJ ^{[1
]}

PEYERIMHOFF, SD ^{[1
]}

SHIH, SK ^{[1
]}

机构：

[1] UNIV BONN,LEHRSTUHL THEORET CHEM,D-5300 BONN 1,FED REP GER

来源：

CHEMICAL PHYSICS LETTERS | 1980年 / 69卷 / 01期

关键词：

D O I：

10.1016/0009-2614(80)80002-9

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：7 / 13

页数：7

共 22 条

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MCKOY, V .

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PEYERIMHOFF, SD .

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[5] MRD-CI STUDY OF THE VERTICAL 1(PI, PI-STAR) V-N TRANSITION OF ETHYLENE USING AN AO-BASIS WITH OPTIMIZED RYDBERG ND-PI-SPECIES AND 2 SEPARATE CARBON-D POLARIZATION FUNCTIONS [J].

BUENKER, RJ ;

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BUENKER, RJ ;

PEYERIMHOFF, SD .

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[7] APPLICABILITY OF MULTI-REFERENCE DOUBLE-EXCITATION CI (MRD-CI) METHOD TO CALCULATION OF ELECTRONIC WAVEFUNCTIONS AND COMPARISON WITH RELATED TECHNIQUES [J].

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[8] MIXED VALENCE RYDBERG STATES [J].

BUENKER, RJ ;

PEYERIMHOFF, SD .

CHEMICAL PHYSICS LETTERS, 1975, 36 (04) :415-422

[9] COMMENT ON ROLE OF CONFIGURATION SELECTION METHODS IN DESCRIBING V-STATE OF ETHYLENE [J].

BUENKER, RJ ;

PEYERIMHOFF, SD ;

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JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (08) :3882-3883

[10] The theoretical description of the (pi pi*) excited states of ethylene [J].

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