CLUSTER-EXPANSION OF THE WAVEFUNCTION - SATELLITE PEAKS OF THE INNER-VALENCE IONIZATION OF H2O STUDIED BY THE SAC AND SAC CI THEORIES

被引:40
作者
NAKATSUJI, H
YONEZAWA, T
机构
关键词
D O I
10.1016/0009-2614(82)83004-2
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:426 / 431
页数:6
相关论文
共 30 条
[1]   SEMI-INTERNAL CORRELATION IN THE AUGER-ELECTRON SPECTRUM OF H2O [J].
AGREN, H ;
SIEGBAHN, H .
CHEMICAL PHYSICS LETTERS, 1980, 69 (03) :424-429
[2]   APPLICABILITY OF MULTI-REFERENCE DOUBLE-EXCITATION CI (MRD-CI) METHOD TO CALCULATION OF ELECTRONIC WAVEFUNCTIONS AND COMPARISON WITH RELATED TECHNIQUES [J].
BUENKER, RJ ;
PEYERIMHOFF, SD ;
BUTSCHER, W .
MOLECULAR PHYSICS, 1978, 35 (03) :771-791
[3]   CALCULATIONS ON ELECTRONIC-SPECTRUM OF WATER [J].
BUENKER, RJ ;
PEYERIMHOFF, SD .
CHEMICAL PHYSICS LETTERS, 1974, 29 (02) :253-259
[4]   APPLICATION OF GREENS FUNCTIONS TO EXCITATIONS ACCOMPANYING PHOTOIONIZATION IN ATOMS AND MOLECULES [J].
CEDERBAUM, LS .
MOLECULAR PHYSICS, 1974, 28 (02) :479-493
[6]  
DUNNING TH, 1977, MODERN THEORETICAL C, V3, pCH1
[7]   RECENT PROGRESS IN ESCA STUDIES OF GASES [J].
GELIUS, U .
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1974, 5 (NOV-D) :985-1057
[8]   CLUSTER EXPANSION OF WAVEFUNCTION - OPEN-SHELL ORBITAL THEORY INCLUDING ELECTRON CORRELATION [J].
HIRAO, K ;
NAKATSUJI, H .
JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (10) :4548-4563
[9]   CLUSTER-EXPANSION OF THE WAVEFUNCTION - SYMMETRY-ADAPTED-CLUSTER (SAC) THEORY FOR EXCITED-STATES [J].
HIRAO, K ;
NAKATSUJI, H .
CHEMICAL PHYSICS LETTERS, 1981, 79 (02) :292-298
[10]   CLUSTER EXPANSION OF WAVEFUNCTION - STRUCTURE OF CLOSED-SHELL ORBITAL THEORY [J].
HIRAO, K ;
NAKATSUJI, H .
JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (10) :4535-4547