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Issue 41, 2013
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CAP/EOM-CCSD method for the study of potential curves of resonant states

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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–N2 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.

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

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Article information


Submitted
19 Jun 2013
Accepted
30 Aug 2013
First published
02 Sep 2013

Phys. Chem. Chem. Phys., 2013,15, 17915-17921
Article type
Paper

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

A. Ghosh, A. Karne, S. Pal and N. Vaval, Phys. Chem. Chem. Phys., 2013, 15, 17915
DOI: 10.1039/C3CP52552J

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