A general bridge between configuration interaction and coupled-cluster methods: A multistate solution

被引:9
作者
Adamowicz, L
Caballol, R
Malrieu, JP
Meller, J
机构
[1] UNIV ROVIRA & VIRGILI,DEPT QUIM,TARRAGONA 43005,SPAIN
[2] UNIV TOULOUSE 3,PHYS QUANT LAB,IRSAMC,F-31062 TOULOUSE,FRANCE
[3] NICHOLAS COPERNICUS UNIV,DEPT COMP METHODS,PL-87100 TORUN,POLAND
关键词
D O I
10.1016/0009-2614(96)00746-4
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
Using the concept of intermediate Hamiltonians, a state-specific dressing of an arbitrary configuration interaction matrix is presented in its full generality, proceeding through a coupled-cluster development of the desired eigenvector from its dominant single determinantal components. The method is then generalized to simultaneously search for M eigenstates through a Jeziorski-Monkhorst-type expansion from the M dominant determinants.
引用
收藏
页码:619 / 626
页数:8
相关论文
共 24 条
[1]  
ADAMOWICZ L, UNPUB
[2]   COUPLED-CLUSTER METHOD FOR OPEN-SHELL SINGLET-STATES [J].
BALKOVA, A ;
BARTLETT, RJ .
CHEMICAL PHYSICS LETTERS, 1992, 193 (05) :364-372
[4]   LINKED-CLUSTER EXPANSIONS FOR NUCLEAR MANY-BODY PROBLEM [J].
BRANDOW, BH .
REVIEWS OF MODERN PHYSICS, 1967, 39 (04) :771-&
[5]  
CIZEK J, 1966, J CHEM PHYS, V45, P4256
[6]   SHORT-RANGE CORRELATIONS IN NUCLEAR WAVE FUNCTIONS [J].
COESTER, F ;
KUMMEL, H .
NUCLEAR PHYSICS, 1960, 17 (03) :477-485
[7]   BOUND STATES OF A MANY-PARTICLE SYSTEM [J].
COESTER, F .
NUCLEAR PHYSICS, 1958, 7 (04) :421-424
[8]   SIZE-CONSISTENT SELF-CONSISTENT TRUNCATED OR SELECTED CONFIGURATION-INTERACTION [J].
DAUDEY, JP ;
HEULLY, JL ;
MALRIEU, JP .
JOURNAL OF CHEMICAL PHYSICS, 1993, 99 (02) :1240-1254
[9]  
GOLDSTONE J, 1957, P ROYAL SOC A, V239, P269
[10]   4 SELF-CONSISTENT DRESSINGS TO ACHIEVE SIZE-CONSISTENCY OF SINGLES AND DOUBLES CONFIGURATION-INTERACTION [J].
HEULLY, JL ;
MALRIEU, JP .
CHEMICAL PHYSICS LETTERS, 1992, 199 (06) :545-550