THEORETICAL-STUDIES ON LOW-LYING ELECTRONIC STATES OF THE CCL+, SICL+, AND GECL+ IONS

被引:26
作者
NISHIMURA, Y
MIZUGUCHI, T
TSUJI, M
OBARA, S
MOROKUMA, K
机构
[1] KYUSHU UNIV,GRAD SCH ENGN SCI,DEPT MOLEC SCI & TECHNOL,FUKUOKA 816,JAPAN
[2] INST MOLEC SCI,OKAZAKI,AICHI 444,JAPAN
关键词
D O I
10.1063/1.444714
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:7260 / 7264
页数:5
相关论文
共 21 条
[11]   CONFIGURATION INTERACTION STUDY OF SPIN DIPOLE-DIPOLE PARAMETERS FOR FORMALDEHYDE AND METHYLENE [J].
LANGHOFF, SR ;
ELBERT, ST ;
DAVIDSON, ER .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1973, 7 (05) :999-1019
[14]  
MIZUGUCHI T, 1982, 45TH NAT M CHEM SOC
[15]   RESTRICTED HARTREE-FOCK CALCULATIONS ON GEH2 AND SNH2 [J].
OLBRICH, G .
CHEMICAL PHYSICS LETTERS, 1980, 73 (01) :110-113
[16]   CALCULATIONS OF PERTURBATION PARAMETERS BETWEEN VALENCE STATES OF CS [J].
ROBBE, JM ;
SCHAMPS, J .
JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (12) :5420-5426
[17]   ELECTRONIC-STRUCTURE AND PERTURBATIONS - INTERPRETATION IN THE SIO VALENCE STATES [J].
ROBBE, JM ;
SCHAMPS, J ;
LEFEBVREBRION, H ;
RASEEV, G .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1979, 74 (03) :375-387
[18]   POLARIZATION FUNCTIONS FOR FIRST AND SECOND ROW ATOMS IN GAUSSIAN TYPE MO-SCF CALCULATIONS [J].
ROOS, B ;
SIEGBAHN, P .
THEORETICA CHIMICA ACTA, 1970, 17 (03) :199-&
[19]   UTILIZATION OF ABELIAN POINT GROUP SYMMETRY IN THE GRAPHICAL UNITARY GROUP-APPROACH TO THE CALCULATION OF CORRELATED ELECTRONIC WAVEFUNCTIONS [J].
SHAVITT, I .
CHEMICAL PHYSICS LETTERS, 1979, 63 (03) :421-427
[20]   VIBRATIONAL ANALYSIS OF THE A3-PI-0+,3-PI-1-X1-SIGMA+ BAND SYSTEMS OF SICL+ [J].
TSUJI, M ;
MIZUGUCHI, T ;
NISHIMURA, Y .
CANADIAN JOURNAL OF PHYSICS, 1981, 59 (08) :985-989