DIRAC-SLATER MODEL CALCULATIONS OF IONIZATION ENERGIES FOR CESIUM-HALIDE MOLECULES

被引：35
作者：
ADACHI, H
ROSEN, A
ELLIS, DE
机构：
[1] OSAKA UNIV,DEPT NUCL ENGN,SUITA,OSAKA 565,JAPAN
[2] CHALMERS UNIV TECHNOL,DEPT PHYS,S-40220 GOTHENBURG 5,SWEDEN
[3] NORTHWESTERN UNIV,DEPT PHYS & CHEM,EVANSTON,IL 60201
来源：
MOLECULAR PHYSICS | 1977年 / 33卷 / 01期
关键词：
D O I：
10.1080/00268977700103161
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：199 / 205
页数：7
相关论文
共 31 条
[1]   Self-consistent molecular Hartree-Fock-Slater calculations - I. The computational procedure [J].
Baerends, E. J. ;
Ellis, D. E. ;
Ros, P. .
CHEMICAL PHYSICS, 1973, 2 (01) :41-51
[2]   Self-consistent molecular Hartree-Fock-Slater calculations - II. The effect of exchange scaling in some small molecules [J].
Baerends, E. J. ;
Ros, P. .
CHEMICAL PHYSICS, 1973, 2 (01) :52-59
[3]   LEVEL ORDERING IN FERROCENE - COMPARISON BETWEEN HARTREE-FOCK-SLATER AND HARTREE-FOCK MODELS [J].
BAERENDS, EJ ;
ROS, P .
CHEMICAL PHYSICS LETTERS, 1973, 23 (03) :391-393
[4]  
BAERENDS JE, 1975, MOLEC PHYS, V30, P1735
[5]   PES OF HIGH-TEMPERATURE VAPORS .4. CESIUM HALIDES - EFFECT OF SPIN-ORBIT INTERACTION ON PHOTOELECTRON AND MASS-SPECTRA OF ALKALI-HALIDES [J].
BERKOWITZ, J ;
DEHMER, JL ;
WALKER, TEH .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (07) :3645-3653
[6]   X-RAY PHOTOELECTRON SPECTROSCOPY OF ALKALI-HALIDES [J].
CITRIN, PH ;
THOMAS, TD .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (10) :4446-&
[7]   Discrete variational method for the energy-band problem with general crystal potentials [J].
Ellis, D. E. ;
Painter, G. S. .
PHYSICAL REVIEW B-SOLID STATE, 1970, 2 (08) :2887-2898
[8]  
Ellis D. E., 1971, COMPUTATIONAL METHOD, P271
[9]   MOLECULAR CLUSTER THEORY FOR CHEMISORPTION OF 1ST ROW ATOMS ON NICKEL (100) SURFACES [J].
ELLIS, DE ;
ADACHI, H ;
AVERILL, FW .
SURFACE SCIENCE, 1976, 58 (02) :497-510
[10]  
ELLIS DE, 1975, INT J QUANTUM CHEM S, V9, P351
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