IMPROVING THE CONVERGENCE OF THE MANY-BODY PERTURBATION EXPANSION THROUGH A CONVENIENT SUMMATION OF EXCLUSION-PRINCIPLE VIOLATING DIAGRAMS

被引：23
作者：
LEPETIT, MB
MALRIEU, JP
机构：
来源：
JOURNAL OF CHEMICAL PHYSICS | 1987年 / 87卷 / 10期
关键词：
D O I：
10.1063/1.453517
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：5937 / 5948
页数：12
相关论文
共 38 条
[1]   NON-EMPIRICAL PSEUDOPOTENTIALS FOR MOLECULAR CALCULATIONS .1. PSIBMOL ALGORITHM AND TEST CALCULATIONS [J].
BARTHELAT, JC ;
DURAND, P ;
SERAFINI, A .
MOLECULAR PHYSICS, 1977, 33 (01) :159-180
[2]   BENCHMARK FULL CONFIGURATION-INTERACTION CALCULATIONS ON HF AND NH2 [J].
BAUSCHLICHER, CW ;
LANGHOFF, SR ;
TAYLOR, PR ;
HANDY, NC ;
KNOWLES, PJ .
JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (03) :1469-1474
[3]   ELECTRONIC AND GEOMETRIC STRUCTURE OF LI-4 AND NA-4 CLUSTERS [J].
BECKMANN, HO ;
KOUTECKY, J ;
BONACICKOUTECKY, V .
JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (10) :5182-5190
[4]  
BINKLEY JS, GAUSSIAN 82
[5]   INDIVIDUALIZED CONFIGURATION SELECTION IN CI CALCULATIONS WITH SUBSEQUENT ENERGY EXTRAPOLATION [J].
BUENKER, RJ ;
PEYERIMH.SD .
THEORETICA CHIMICA ACTA, 1974, 35 (01) :33-58
[6]   ENERGY EXTRAPOLATION IN CI CALCULATIONS [J].
BUENKER, RJ ;
PEYERIMHOFF, SD .
THEORETICA CHIMICA ACTA, 1975, 39 (03) :217-228
[7]   APPLICABILITY OF MULTI-REFERENCE DOUBLE-EXCITATION CI (MRD-CI) METHOD TO CALCULATION OF ELECTRONIC WAVEFUNCTIONS AND COMPARISON WITH RELATED TECHNIQUES [J].
BUENKER, RJ ;
PEYERIMHOFF, SD ;
BUTSCHER, W .
MOLECULAR PHYSICS, 1978, 35 (03) :771-791
[8]   CI METHOD FOR STUDY OF GENERAL MOLECULAR POTENTIALS [J].
BUENKER, RJ ;
PEYERIMH.SD .
THEORETICA CHIMICA ACTA, 1968, 12 (03) :183-&
[9]   STABILITY CONDITIONS FOR SOLUTIONS OF HARTREE-FOCK EQUATIONS FOR ATOMIC AND MOLECULAR SYSTEMS .5. NONANALYTIC BEHAVIOR OF BROKEN-SYMMETRY SOLUTIONS AT BRANCHING POINT [J].
CIZEK, J ;
PALDUS, J .
PHYSICAL REVIEW A, 1971, 3 (02) :525-&
[10]   SIZE CONSISTENCY IN DILUTE HELIUM GAS ELECTRONIC-STRUCTURE [J].
DAVIDSON, ER ;
SILVER, DW .
CHEMICAL PHYSICS LETTERS, 1977, 52 (03) :403-406
1234