Analytically continued fock space multi-reference coupled-cluster theory: application to the shape resonance

TitleAnalytically continued fock space multi-reference coupled-cluster theory: application to the shape resonance
Publication TypeJournal Article
Year of Publication2006
AuthorsPal, S, Sajeev, Y, Vaval, N
JournalChemical Physics
Volume329
Issue1-3
Pagination283-289
Date PublishedOCT
Type of ArticleArticle
ISSN0301-0104
Keywordscomplex absorbing potential, correlated independent particle potential, Fock space multi-reference coupled-cluster theory, shape resonance
Abstract

The Fock space multi-reference coupled-cluster (FSMRCC) method is used for the study of the shape resonance energy and width in an electron-atom/molecule collision. The procedure is based upon combining a complex absorbing potential (CAP) with FSMRCC theory. Accurate resonance parameters are obtained by solving a small non-Hermitian eigen-value problem. We study the shape resonances in e(-)-C2H4 and e(-)-Mg. (c) 2006 Elsevier B.V. All rights reserved.

DOI10.1016/j.chemphys.2006.07.002
Type of Journal (Indian or Foreign)

Foreign

Impact Factor (IF)

1.758

Divison category: 
Physical and Materials Chemistry