CONFIGURATION INTERACTION CALCULATIONS ON PLANAR (PI,PISTAR)-1 STATE OF ETHYLENE

被引：130

作者：

MCMURCHIE, LE ^{[1
]}

DAVIDSON, ER ^{[1
]}

机构：

[1] UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195

来源：

JOURNAL OF CHEMICAL PHYSICS | 1977年 / 66卷 / 07期

关键词：

D O I：

10.1063/1.434364

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：2959 / 2971

页数：13

共 28 条

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[2] INTERPRETATION OF OPEN-SHELL SCF CALCULATIONS ON T AND V STATES OF ETHYLENE
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (05) : 1628 - &
[3] MULTICONFIGURATION WAVEFUNCTIONS FOR LOWEST (PI-PI) EXCITED-STATES OF ETHYLENE
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GODDARD, WA
DUNNING, TH
HUNT, WJ
[J]. CHEMICAL PHYSICS LETTERS, 1972, 15 (02) : 171 - &
[4] COMBINED SCF AND CI CALCULATIONS FOR LOW-LYING RYDBERG AND VALENCE EXCITED STATES OF ETHYLENE
BUENKER, RJ
PEYERIMHOFF, SD
KAMMER, WE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) : 814 - +
[5] ALL-VALENCE-ELECTRON CONFIGURATION MIXING CALCULATIONS FOR CHARACTERIZATION OF 1(PI,PI-STAR) STATES OF ETHYLENE
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PEYERIMHOFF, SD
[J]. CHEMICAL PHYSICS, 1975, 9 (1-2) : 75 - 89
[6] NEW INTERPRETATION FOR STRUCTURE OF V-N BANDS OF ETHYLENE
BUENKER, RJ
PEYERIMHOFF, SD
HSU, HL
[J]. CHEMISTRY AND PHYSICS OF LIPIDS, 1971, 11 (01) : 65 - +
[7] SELECTION OF PROPER CANONICAL ROOTHAAN-HARTREE-FOCK ORBITALS FOR PARTICULAR APPLICATIONS .1. THEORY
DAVIDSON, ER
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (05) : 1999 - &
[8] DAVIDSON ER, 1976, INT J QUANTUM CHEM S, V10, P21
[9] The theoretical description of the (pi pi*) excited states of ethylene
Dunning, T. H., Jr.
Huntt, W. J.
Goddard, W. A., III
[J]. CHEMICAL PHYSICS LETTERS, 1969, 4 (03) : 147 - 150
[10] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +

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