Intermediate Hamiltonian Fock-space coupled-cluster method

被引：88

作者：

Landau, A ^{[1
]}

Eliav, E ^{[1
]}

Kaldor, U ^{[1
]}

机构：

[1] Tel Aviv Univ, Sch Chem, IL-69978 Tel Aviv, Israel

来源：

CHEMICAL PHYSICS LETTERS | 1999年 / 313卷 / 1-2期

关键词：

D O I：

10.1016/S0009-2614(99)01067-2

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：

An intermediate Hamiltonian Fock-space coupled-cluster method is presented, following the formalism developed by Malrieu in the context of perturbation theory. The method is expected to be applicable to many states not accessible by traditional FSCC. A pilot application to a large number of excited states of Sc+ shows good convergence and agreement with experiment to a few hundredths of an eV, whereas the usual FSCC iterations diverge for all but the few lowest states. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：399 / 403

页数：5

共 27 条

[1] THE METHOD OF MINIMIZED ITERATIONS IN MULTI-REFERENCE (EFFECTIVE HAMILTONIAN) PERTURBATION-THEORY [J].