ABINITIO CI CALCULATION OF O-2+ PREDISSOCIATION PHENOMENA INDUCED BY A SPIN ORBIT COUPLING MECHANISM

被引：80

作者：

MARIAN, CM ^{[1
]}

MARIAN, R ^{[1
]}

PEYERIMHOFF, SD ^{[1
]}

HESS, BA ^{[1
]}

BUENKER, RJ ^{[1
]}

SEGER, G ^{[1
]}

机构：

[1] UNIV GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER

来源：

MOLECULAR PHYSICS | 1982年 / 46卷 / 04期

关键词：

D O I：

10.1080/00268978200101591

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：779 / 810

页数：32

共 56 条

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[2] ROTATIONAL ANALYSIS OF A2PIU-X2PIG SECOND NEGATIVE BAND SYSTEM OF O2+
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[3] ANALYSIS OF O2+B4SIGMAG--A4IIU 1ST NEGATIVE BAND SYSTEM
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[4] MOLECULAR PHOTOELECTRON-SPECTROSCOPY AT 132.3EV - N2, CO, C2H4 AND O2
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[J]. JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1976, 8 (04) : 255 - 270
[5] CONFIGURATION INTERACTION CALCULATIONS OF LOW-LYING ELECTRONIC STATES OF O-2,O-2+, AND O-2(2+)
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (05) : 2080 - 2093
[6] REINVESTIGATION OF 2ND NEGATIVE (A2PIU-X2PIG) BAND SYSTEM OF O-2+
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[J]. PRAMANA, 1976, 7 (05) : 324 - 333
[7] COMPETING PRE-DISSOCIATIONS OF O-2+(B-APPROXIMATELY 2-SIGMA-APPROXIMATELY-G)
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DANBY, CJ
[J]. CHEMICAL PHYSICS LETTERS, 1981, 84 (02) : 272 - 275
[8] THE PREDISSOCIATION OF MOLECULAR-OXYGEN CATIONS O-2+(B-2-SIGMA-G-)
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SCHMELZER, A
STADELMANN, JP
[J]. CHEMICAL PHYSICS, 1981, 61 (1-2) : 215 - 219
[9] DIPOLE OSCILLATOR-STRENGTHS FOR THE PHOTOABSORPTION, PHOTO-IONIZATION AND FRAGMENTATION OF MOLECULAR-OXYGEN
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[J]. JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1979, 17 (02) : 101 - 119
[10] INDIVIDUALIZED CONFIGURATION SELECTION IN CI CALCULATIONS WITH SUBSEQUENT ENERGY EXTRAPOLATION
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[J]. THEORETICA CHIMICA ACTA, 1974, 35 (01): : 33 - 58

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