THE CALCULATION OF POTENTIAL ENERGY SURFACES FOR EXCITED STATES

被引:13
作者
Hirst, David M. [1 ]
机构
[1] Univ Warwick, Dept Chem & Mol Sci, Coventry CV4 7AL, W Midlands, England
来源
ADVANCES IN CHEMICAL PHYSICS <D> | 1982年 / 50卷
关键词
D O I
10.1002/9780470142745.ch8
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
引用
收藏
页码:517 / 587
页数:71
相关论文
共 387 条
[1]   APPLICATION OF GRAPHICAL METHODS OF SPIN ALGEBRAS TO LIMITED CI APPROACHES .2. SIMPLE OPEN-SHELL CASE [J].
ADAMS, BG ;
PALDUS, J ;
CIZEK, J .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1977, 11 (05) :849-867
[2]   POTENTIAL-ENERGY CURVES FOR NO+ [J].
ALBRITTON, DL ;
SCHMELTEKOPF, AL ;
ZARE, RN .
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (08) :3271-3279
[3]   MCSCF+CL WAVEFUNCTIONS AND PROPERTIES OF X2II AND A2II STATES OF CLO [J].
ARNOLD, JO ;
WHITING, EE ;
LANGHOFF, SR .
JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (10) :4459-4467
[4]  
BADER RFW, 1975, THEORETICAL CHEMISTR, V2, P1
[5]   ORIGIN OF SATELLITE STRUCTURE IN VALENCE X-RAY PHOTOELECTRON-SPECTRUM OF CO - THEORETICAL-STUDY [J].
BAGUS, PS ;
VIINIKKA, EK .
PHYSICAL REVIEW A, 1977, 15 (04) :1486-1496
[6]  
BAGUS PS, 1980, COMPUTATIONAL METHOD, P203
[7]  
Balint-Kurti G. G., 1975, Molecular scattering
[8]  
Physical and chemical applications, P137
[9]  
BALINTKURTI GG, 1977, FARADAY DISCUSS, V62, P75
[10]  
BALINTKURTI GG, 1980, ELECT CORRELATION, P109