CONFIGURATION INTERACTION STUDY OF SPIN DIPOLE-DIPOLE PARAMETERS FOR FORMALDEHYDE AND METHYLENE

被引：100

作者：

LANGHOFF, SR ^{[1
]}

ELBERT, ST ^{[1
]}

DAVIDSON, ER ^{[1
]}

机构：

[1] UNIV WASHINGTON,CHEM DEPT BG 10,SEATTLE,WA 98195

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1973年 / 7卷 / 05期

关键词：

D O I：

10.1002/qua.560070515

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：999 / 1019

页数：21

共 28 条

[1] THEORETICAL STUDY OF LIH MOLECULE [J].

BENDER, CF ;

DAVIDSON, ER .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (09) :4222-&

[2]

Brewer L., 1961, THERMODYNAMICS, V2nd

[3]

BUCKINGHAM AD, 1958, J CHEM PHYS, V30, P1580

[4] COMBINED SCF AND CI METHOD FOR CALCULATION OF ELECTRONICALLY EXCITED STATES MOLECULES - POTENTIAL CURVES FOR LOW-LYING STATES OF FORMALDEHYDE [J].

BUENKER, RJ ;

PEYERIMHOFF, SD .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (04) :1368-+

[5] CALCULATION OF NATURAL ORBITALS AND WAVEFUNCTIONS BY PERTURBATION THEORY [J].

DAVIDSON, ER .

JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (07) :3169-&

[6] SELECTION OF PROPER CANONICAL ORBITALS .2. WATER [J].

ELBERT, ST ;

DAVIDSON, ER ;

LANGHOFF, SR .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (05) :2005-&

[7] AB-INITIO STUDY OF ZERO FIELD SPLITTING PARAMETERS OF 3B1 METHYLENE [J].

HARRISON, JF .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (12) :5413-&

[8]

HERZBERG G, 1966, ELECTRONIC SPECTRA E

[9]

HUTTNER W, 1968, J CHEM PHYS, V48, P1206

[10] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].

HUZINAGA, S .

JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&

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