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Lifetime of inner-shell hole states of Ar (2p) and Kr (3d) using equation-of-motion coupled cluster method.

Authors :
Ghosh, Aryya
Pal, Sourav
Vaval, Nayana
Source :
Journal of Chemical Physics. 2015, Vol. 143 Issue 2, p1-6. 6p. 2 Charts.
Publication Year :
2015

Abstract

Auger decay is an efficient ultrafast relaxation process of core-shell or inner-shell excited atom or molecule. Generally, it occurs in femto-second or even atto-second time domain. Direct measurement of lifetimes of Auger process of single ionized and double ionized inner-shell state of an atom or molecule is an extremely difficult task. In this paper, we have applied the highly correlated complex absorbing potential-equation-of-motion coupled cluster (CAP-EOMCC) approach which is a combination of CAP and EOMCC approach to calculate the lifetime of the states arising from 2p inner-shell ionization of an Ar atom and 3d inner-shell ionization of Kr atom. We have also calculated the lifetime of Ar2+(2p-13p-1)¹D, Ar2+(2p-13p-1)¹S, and Ar2+(2p-13s-1) 1P double ionized states. The predicted results are compared with the other theoretical results as well as experimental results available in the literature. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00219606
Volume :
143
Issue :
2
Database :
Academic Search Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
108395902
Full Text :
https://doi.org/10.1063/1.4926396