Interatomic coulombic decay in (HF)n,(n=2-3) clusters using CAP/EOM-CCSD method
Title | Interatomic coulombic decay in (HF)n,(n=2-3) clusters using CAP/EOM-CCSD method |
Publication Type | Journal Article |
Year of Publication | 2013 |
Authors | Ghosh, A, Pal, S, Vaval, N |
Journal | Molecular Physics |
Volume | 112 |
Issue | 5-6 |
Pagination | 669-673 |
Date Published | NOV |
Type of Article | Article |
ISSN | 0026-8976 |
Keywords | complex absorbing potential (CAP), equation-of-motion coupled-cluster (EOM-CC), HF clusters, interatomic Coulombic decay (ICD) |
Abstract | The equation-of-motion coupled-cluster method along with the complex absorbing potential has been applied to study the interatomic Coulombic decay mechanism in hydrogen-bonded clusters. We have applied this method to calculate the lifetime of the F 2s inner-valence ionised state of (HF)(n) (n = 2-3) clusters. The lifetime is found to be very short and decreases substantially with increasing the number of HF monomer. |
DOI | 10.1080/00268976.2013.852263 |
Type of Journal (Indian or Foreign) | Foreign |
Impact Factor (IF) | 1.642 |
Divison category:
Physical and Materials Chemistry