CEPA CALCULATIONS ON OPEN-SHELL MOLECULES .2. SINGLET-TRIPLET ENERGY SPLITTING IN PI-2 CONFIGURATIONS OF DIATOMIC-MOLECULES

被引：15

作者：

STAEMMLER, V

JAQUET, R

机构：

来源：

THEORETICA CHIMICA ACTA | 1981年 / 59卷 / 05期

关键词：

D O I：

10.1007/BF00938692

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：501 / 515

页数：15

共 41 条

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[2] KOHN-SHAM CALCULATIONS ON OPEN-SHELL DIATOMIC-MOLECULES
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[J]. MOLECULAR PHYSICS, 1993, 80 (05) : 1121 - 1134
[3] LAMBDA DOUBLING IN PI-2 STATES OF DIATOMIC-MOLECULES
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[J]. JOURNAL OF PHYSICS PART B ATOMIC AND MOLECULAR PHYSICS, 1972, 5 (02): : 204 - &
[4] (E,2E) INVESTIGATION OF THE OPEN-SHELL DIATOMIC-MOLECULES O-2 AND NO
MOORE, JH
COPLAN, MA
TOSSELL, JA
HENCH, DS
CAMILLONI, R
STEFANI, G
[J]. BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1980, 25 (09): : 1141 - 1141
[5] SINGLE-DETERMINANTAL OPEN-SHELL AND CLOSED-SHELL FSGO CALCULATIONS FOR SOME DIATOMIC-MOLECULES
PAKIARI, AH
LINNETT, JW
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1980, 18 (03) : 661 - 673
[6] CORRECTIONS TO SPIN-ORBIT SPLITTING IN PI-2 STATES OF DIATOMIC MOLECULES
VESETH, L
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1971, 38 (02) : 228 - &
[7] A comparative study on seniority-based MO and VS calculations of the singlet and triplet energy gaps of open-shell molecules
Zhou, Chen
Chen, Zhenhua
Wu, Wei
[J]. COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2017, 1116 : 86 - 91
[8] CEPA CALCULATIONS ON OPEN-SHELL MOLECULES .11. THE 2 LOWEST ELECTRONIC STATES OF HEAR+
STAEMMLER, V
[J]. ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS, 1990, 16 (03): : 167 - 173
[9] BAND INTENSITIES IN PHOTOELECTRON SPECTRA OF OPEN-SHELL MOLECULES .2.
COX, PA
ORCHARD, AF
EVANS, S
[J]. CHEMICAL PHYSICS LETTERS, 1972, 13 (04) : 386 - &
[10] POLARIZATION AND M-DEPENDENT EFFECTS IN ROTATIONALLY INELASTIC-COLLISIONS OF OPEN-SHELL DIATOMIC-MOLECULES - AR-NO(X2-PI-1/2)
ALEXANDER, MH
ORLIKOWSKI, T
[J]. JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (04): : 1506 - 1516

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