ENERGY EXTRAPOLATION IN CI CALCULATIONS

被引：1104

作者：

BUENKER, RJ ^{[1
]}

PEYERIMHOFF, SD ^{[1
]}

机构：

[1] UNIV BONN,LEHRSTUHL THEORET CHEM,WEGELER STR 12,D-5300 BONN,FED REP GER

来源：

THEORETICA CHIMICA ACTA | 1975年 / 39卷 / 03期

关键词：

D O I：

10.1007/BF00555301

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：217 / 228

页数：12

共 17 条

[1] STUDIES IN CONFIGURATION INTERACTION - FIRST-ROW DIATOMIC HYDRIDES [J].

BENDER, CF ;

DAVIDSON, ER .

PHYSICAL REVIEW, 1969, 183 (01) :23-&

[2] AB-INITIO CALCULATIONS ON ELECTRONIC-SPECTRUM OF ETHANE [J].

BUENKER, RJ ;

PEYERIMHOFF, SD .

CHEMICAL PHYSICS, 1975, 8 (1-2) :56-67

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

BUENKER, RJ ;

PEYERIMHOFF, SD .

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

[4] THEORETICAL-STUDY OF VERTICAL ELECTRONIC-SPECTRUM OF O2 - MIXING OF VALENCE AND RYDBERG STATES [J].

BUENKER, RJ ;

PEYERIMHOFF, SD .

CHEMICAL PHYSICS, 1975, 8 (03) :324-337

[5]

BUENKER RJ, IN PRESS

[6]

DAVIDSON ER, 1974, 1ST P INT C QUANT CH

[7]

ELBERT ST, IN PRESS

[8]

Gershgorn Z., 1968, INT J QUANTUM CHEM, V2, P751

[9] CONFIGURATION INTERACTION STUDIES OF GROUND AND EXCITED STATES OF POLYATOMIC MOLECULES .2. ELECTRONIC STATES AND SPECTRUM OF PYRAZINE [J].

HACKMEYER, M ;

WHITTEN, JL .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (09) :3739-+

[10]

LANGHOFF S, TO BE PUBLISHED

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