COUPLED-CLUSTER APPROACH TO ELECTRON CORRELATION IN ONE DIMENSION .2. CYCLIC POLYENE MODEL IN LOCALIZED BASIS

被引:87
作者
TAKAHASHI, M
PALDUS, J
机构
[1] UNIV WATERLOO, GUELPH WATERLOO CTR GRAD WORK CHEM, WATERLOO N2L 3G1, ONTARIO, CANADA
[2] UNIV WATERLOO, DEPT CHEM, WATERLOO N2L 3G1, ONTARIO, CANADA
关键词
D O I
10.1103/PhysRevB.31.5121
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
引用
收藏
页码:5121 / 5142
页数:22
相关论文
共 67 条
[1]  
ADAMS BG, 1983, INT J QUANTUM CHEM, P297
[2]   SYMMETRY-ADAPTED COUPLED-PAIR APPROACH TO THE MANY-ELECTRON CORRELATION-PROBLEM .3. APPROXIMATE COUPLED-PAIR APPROACHES FOR THE BE ATOM [J].
ADAMS, BG ;
JANKOWSKI, K ;
PALDUS, J .
PHYSICAL REVIEW A, 1981, 24 (05) :2330-2338
[3]   SYMMETRY-ADAPTED COUPLED-PAIR APPROACH TO THE MANY-ELECTRON CORRELATION-PROBLEM .2. APPLICATION TO THE BE ATOM [J].
ADAMS, BG ;
JANKOWSKI, K ;
PALDUS, J .
PHYSICAL REVIEW A, 1981, 24 (05) :2316-2329
[4]   APPLICATION OF AN APPROXIMATE DOUBLE SUBSTITUTION COUPLED CLUSTER (ACCD) METHOD TO THE POTENTIAL CURVES OF CO AND NEHE - HIGHER-ORDER CORRELATION-EFFECTS IN CHEMICALLY AND WEAKLY BONDED MOLECULES [J].
BACHRACH, SM ;
CHILES, RA ;
DYKSTRA, CE .
JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (05) :2270-2275
[5]  
Bartlett R. J., 1984, ADV THEORIES COMPUTA, P127
[6]   MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER THEORY FOR ELECTRON CORRELATION IN MOLECULES [J].
BARTLETT, RJ .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1981, 32 :359-401
[7]  
BARTLETT RJ, 1979, J CHEM PHYS, V71, P281, DOI 10.1063/1.438069
[8]  
Bender CM., 1978, ADV MATH METHODS SCI
[9]   VARIATIONAL PROCEDURE FOR SYMMETRY-ADAPTED WANNIER FUNCTIONS [J].
BOEHM, JV ;
CALAIS, JL .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1979, 12 (18) :3661-3675
[10]   AN EFFICIENT AND ACCURATE APPROXIMATION TO DOUBLE SUBSTITUTION COUPLED CLUSTER WAVEFUNCTIONS [J].
CHILES, RA ;
DYKSTRA, CE .
CHEMICAL PHYSICS LETTERS, 1981, 80 (01) :69-72