A SPIN ORBIT INTERACTION ENHANCED INDO/S-CI TECHNIQUE - APPLICATIONS TO MAIN GROUP AND TRANSITION-METAL HETERONUCLEAR DIATOMIC-MOLECULES

被引：17

作者：

KOTZIAN, M

ROSCH, N

PITZER, RM

ZERNER, MC

机构：

[1] OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210

[2] UNIV FLORIDA,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611

来源：

CHEMICAL PHYSICS LETTERS | 1989年 / 160卷 / 02期

关键词：

D O I：

10.1016/0009-2614(89)87577-3

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：168 / 174

页数：7

共 31 条

[1] CALCULATED SPECTRA OF HYDRATED IONS OF THE 1ST TRANSITION-METAL SERIES [J].

ANDERSON, WP ;

EDWARDS, WD ;

ZERNER, MC .

INORGANIC CHEMISTRY, 1986, 25 (16) :2728-2732

[2] ON THE NATURE OF THE LOW-LYING STATES OF TIO [J].

BAUSCHLICHER, CW ;

BAGUS, PS ;

NELIN, CJ .

CHEMICAL PHYSICS LETTERS, 1983, 101 (03) :229-234

[3] SPIN-ORBIT INTERACTION IN POLYATOMIC-MOLECULES - AB-INITIO COMPUTATIONS WITH GAUSSIAN ORBITALS [J].

BENDAZZOLI, GL ;

PALMIERI, P .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (06) :941-950

[4] ELECTRONIC-STRUCTURE AND SPECTRA OF URANOCENE [J].

CHANG, AHH ;

PITZER, RM .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1989, 111 (07) :2500-2507

[5] THEORETICAL-STUDY OF LOW-LYING 1-SIGMA+-STATES AND 1-PI-STATES OF CO .1. POTENTIAL-ENERGY CURVES AND DIPOLE-MOMENTS [J].

COOPER, DL ;

KIRBY, K .

JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (01) :424-432

[6]

COOPER DM, 1981, J CHEM PHYS, V74, P1200, DOI 10.1063/1.441227

[7] STUDIES IN CONFIGURATION INTERACTION .I. MATRIX ELEMENTS BETWEEN SPIN-COUPLED FUNCTIONS [J].

COOPER, IL ;

MCWEENY, R .

JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (01) :226-&

[8] AN INTERMEDIATE NEGLECT OF DIFFERENTIAL-OVERLAP (INDO) TECHNIQUE FOR LANTHANIDE COMPLEXES - STUDIES ON LANTHANIDE HALIDES [J].

CULBERSON, JC ;

KNAPPE, P ;

ROSCH, N ;

ZERNER, MC .

THEORETICA CHIMICA ACTA, 1987, 71 (01) :21-39

[9] ABINITIO PSEUDOPOTENTIAL STUDY OF THE 1ST ROW TRANSITION-METAL MONOXIDES AND IRON MONOHYDRIDE [J].

DOLG, M ;

WEDIG, U ;

STOLL, H ;

PREUSS, H .

JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (04) :2123-2131

[10] SPIN-ORBIT COUPLING IN FIRST AND SECOND TRANSITION SERIES [J].

DUNN, TM .

TRANSACTIONS OF THE FARADAY SOCIETY, 1961, 57 (09) :1441-&

← 1 2 3 4 →