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

被引：81
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
收藏
页码：779 / 810
页数：32
相关论文
共 56 条
[1]   PHOTOIONIZATION STUDY OF CHARGE-TRANSFER REACTIONS - XE(+)+O2-]O-2(+)+XE AND O-2(+)+XE-]XE(+)+O2 [J].
AJELLO, JM ;
LAUDENSLAGER, JB .
CHEMICAL PHYSICS LETTERS, 1976, 44 (02) :344-347
[2]   ROTATIONAL ANALYSIS OF A2PIU-X2PIG SECOND NEGATIVE BAND SYSTEM OF O2+ [J].
ALBRITTON, DL ;
HARROP, WJ ;
SCHMELTEKOPF, AL ;
ZARE, RN .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1973, 46 (01) :89-102
[3]   ANALYSIS OF O2+B4SIGMAG--A4IIU 1ST NEGATIVE BAND SYSTEM [J].
ALBRITTON, DL ;
SCHMELTEKOPF, AL ;
HARROP, WJ ;
ZARE, RN ;
CZARNY, J .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1977, 67 (1-3) :157-184
[4]   MOLECULAR PHOTOELECTRON-SPECTROSCOPY AT 132.3EV - N2, CO, C2H4 AND O2 [J].
BANNA, MS ;
SHIRLEY, DA .
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+) [J].
BEEBE, NHF ;
THULSTRUP, EW ;
ANDERSEN, A .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (05) :2080-2093
[6]   REINVESTIGATION OF 2ND NEGATIVE (A2PIU-X2PIG) BAND SYSTEM OF O-2+ [J].
BHALE, GL ;
NARASIMHAM, NA .
PRAMANA, 1976, 7 (05) :324-333
[7]   COMPETING PRE-DISSOCIATIONS OF O-2+(B-APPROXIMATELY 2-SIGMA-APPROXIMATELY-G) [J].
BLYTH, RGC ;
POWIS, I ;
DANBY, CJ .
CHEMICAL PHYSICS LETTERS, 1981, 84 (02) :272-275
[8]   THE PREDISSOCIATION OF MOLECULAR-OXYGEN CATIONS O-2+(B-2-SIGMA-G-) [J].
BOMBACH, R ;
SCHMELZER, A ;
STADELMANN, JP .
CHEMICAL PHYSICS, 1981, 61 (1-2) :215-219
[9]   DIPOLE OSCILLATOR-STRENGTHS FOR THE PHOTOABSORPTION, PHOTO-IONIZATION AND FRAGMENTATION OF MOLECULAR-OXYGEN [J].
BRION, CE ;
TAN, KH ;
VANDERWIEL, MJ ;
VANDERLEEUW, PE .
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1979, 17 (02) :101-119
[10]   INDIVIDUALIZED CONFIGURATION SELECTION IN CI CALCULATIONS WITH SUBSEQUENT ENERGY EXTRAPOLATION [J].
BUENKER, RJ ;
PEYERIMH.SD .
THEORETICA CHIMICA ACTA, 1974, 35 (01) :33-58
123456