TESTS OF USING LARGE VALENCE SPACES IN QUASIDEGENERATE MANY-BODY PERTURBATION-THEORY - CALCULATIONS OF O2 POTENTIAL CURVES

被引：24

作者：

TAKADA, T ^{[1
]}

FREED, KF ^{[1
]}

机构：

[1] UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637

来源：

JOURNAL OF CHEMICAL PHYSICS | 1984年 / 80卷 / 08期

关键词：

D O I：

10.1063/1.447192

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：3696 / 3702

页数：7

共 31 条

[1] CONFIGURATION INTERACTION CALCULATIONS OF LOW-LYING ELECTRONIC STATES OF O-2,O-2+, AND O-2(2+) [J].

BEEBE, NHF ;

THULSTRUP, EW ;

ANDERSEN, A .

JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (05) :2080-2093

[2] MIXED VALENCE RYDBERG STATES [J].

BUENKER, RJ ;

PEYERIMHOFF, SD .

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

[3] AB-INITIO STUDY OF MIXING OF VALENCE AND RYDBERG STATES IN O2 - CI POTENTIAL CURVES FOR SIGMA-3(U)-, DELTA-3(U) AND PI-3(U) STATES [J].

BUENKER, RJ ;

PEYERIMHOFF, SD .

CHEMICAL PHYSICS LETTERS, 1975, 34 (02) :225-231

[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] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2823-+

[6] IS THERE A BRIDGE BETWEEN ABINITIO AND SEMIEMPIRICAL THEORIES OF VALENCE [J].

FREED, KF .

ACCOUNTS OF CHEMICAL RESEARCH, 1983, 16 (04) :137-144

[7]

FREED KF, 1977, MODERN THEORETICAL C, V7

[8] ACCURATE ABINITIO POTENTIAL CURVE FOR GROUND-STATE OF O2 [J].

GUBERMAN, SL .

JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (03) :1125-1135

[9] NONCLASSICAL TERMS IN TRUE EFFECTIVE VALENCE SHELL HAMILTONIAN - 2ND QUANTIZED FORMALISM [J].

IWATA, S ;

FREED, KF .

JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (03) :1071-1088

[10]

KONOWALOW DD, UNPUB

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