CAP/EOM-CCSD method for the study of potential curves of resonant states

TitleCAP/EOM-CCSD method for the study of potential curves of resonant states
Publication TypeJournal Article
Year of Publication2013
AuthorsGhosh, A, Karne, AS, Pal, S, Vaval, N
JournalPhysical Chemistry Chemical Physics
Volume15
Issue41
Pagination17915-17921
Date PublishedSEP
ISSN1463-9076
Abstract

The equation-of-motion coupled-cluster (EOM-CC) method along with the complex absorbing potential (CAP) is used for the study of resonance in e(-)-N-2 and e(-)-CO. Resonance position and width are studied as a function of bond length. We report the potential curves (PC) of the resonance states.

DOI10.1039/c3cp52552j
Type of Journal (Indian or Foreign)

Foreign

Impact Factor (IF)

4.198

Divison category: 
Physical and Materials Chemistry