COMMENT ON ROLE OF CONFIGURATION SELECTION METHODS IN DESCRIBING V-STATE OF ETHYLENE

被引：19

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：

JOURNAL OF CHEMICAL PHYSICS | 1978年 / 69卷 / 08期

关键词：

D O I：

10.1063/1.437024

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：3882 / 3883

页数：2

共 9 条

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BUENKER, RJ ;

PEYERIMHOFF, SD .

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[2] COMBINED SCF AND CI CALCULATIONS FOR LOW-LYING RYDBERG AND VALENCE EXCITED STATES OF ETHYLENE [J].

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

BUENKER, RJ ;

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BUTSCHER, W .

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[5] MIXED VALENCE RYDBERG STATES [J].

BUENKER, RJ ;

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[6] CALCULATIONS ON ELECTRONIC-SPECTRUM OF WATER [J].

BUENKER, RJ ;

PEYERIMHOFF, SD .

CHEMICAL PHYSICS LETTERS, 1974, 29 (02) :253-259

[7] CONFIGURATION INTERACTION CALCULATIONS ON PLANAR (PI,PISTAR)-1 STATE OF ETHYLENE [J].

MCMURCHIE, LE ;

DAVIDSON, ER .

JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (07) :2959-2971

[8] CALCULATION OF VERTICAL ELECTRONIC-SPECTRUM OF NITROGEN MOLECULE USING MRD-CI METHOD [J].

SHIH, SK ;

BUTSCHER, W ;

BUENKER, RJ ;

PEYERIMHOFF, SD .

CHEMICAL PHYSICS, 1978, 29 (1-2) :241-252

[9] CONFIGURATION INTERACTION CALCULATIONS FOR GROUND AND EXCITED-STATES OF OZONE AND ITS POSITIVE-ION - ENERGY LOCATIONS AND TRANSITION-PROBABILITIES [J].

THUNEMANN, KH ;

PEYERIMHOFF, SD ;

BUENKER, RJ .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1978, 70 (03) :432-448

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