2ND ORDER PERTURBATION CORRECTION TO CL ENERGIES BY USE OF DIAGRAMMATIC TECHNIQUES - AN IMPROVEMENT TO THE CIPSI ALGORITHM

被引:111
作者
CIMIRAGLIA, R
机构
关键词
D O I
10.1063/1.449362
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:1746 / 1749
页数:4
相关论文
共 20 条
[1]  
BRANDOW BH, 1977, ADV QUANTUM CHEM, V10, P187
[2]   COMPARISON BETWEEN EXPERIMENTALLY AND THEORETICALLY DETERMINED POTENTIAL CURVES OF THE AR-2-STAR LOWEST STATES [J].
CASTEX, MC ;
MORLAIS, M .
JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (10) :5006-5018
[3]   ABINITIO STUDY OF THE PHOTODISSOCIATION OF NITROSOALKANES AND NITROSAMINES [J].
CIMIRAGLIA, R ;
PERSICO, M ;
TOMASI, J .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (06) :1617-1622
[4]  
DAUDEY JP, 1982, CURRENT ASPECTS QUAN, P36
[5]   CONVERGENCE OF AN IMPROVED CIPSI ALGORITHM [J].
EVANGELISTI, S ;
DAUDEY, JP ;
MALRIEU, JP .
CHEMICAL PHYSICS, 1983, 75 (01) :91-102
[6]   THEORETICAL AND EXPERIMENTAL-DETERMINATION OF THE LOWEST EXCITED-STATES OF THE KR-2-STAR EXCIMER [J].
GADEA, FX ;
SPIEGELMANN, F ;
CASTEX, MC ;
MORLAIS, M .
JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (12) :7270-7283
[7]   DIAGRAMMATIC MANY-BODY PERTURBATION-THEORY FOR GENERAL-MODEL SPACES [J].
HOSE, G ;
KALDOR, U .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1979, 12 (23) :3827-3855
[8]   ITERATIVE PERTURBATION CALCULATIONS OF GROUND AND EXCITED-STATE ENERGIES FROM MULTICONFIGURATIONAL ZEROTH-ORDER WAVEFUNCTIONS [J].
HURON, B ;
MALRIEU, JP ;
RANCUREL, P .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (12) :5745-5759
[9]   THEORETICAL-STUDY OF THE LOWEST STATES OF CSH AND CS-2 [J].
JEUNG, GH ;
SPIEGELMANN, F ;
DAUDEY, JP ;
MALRIEU, JP .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1983, 16 (15) :2659-2675
[10]   THEORETICAL-STUDY OF THE LOWEST POTENTIAL CURVES OF NAK [J].
JEUNG, GH ;
DAUDEY, JP ;
MALRIEU, JP .
CHEMICAL PHYSICS LETTERS, 1983, 94 (03) :300-305