Issue 41, 2013
From the journal:

Physical Chemistry Chemical Physics

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

Aryya Ghosh,a   Anagha Karne,a   Sourav Pala  and  Nayana Vaval*a  

* Corresponding authors

a Physical Chemistry Division, CSIR-National Chemical Laboratory, Pune 411008, India
E-mail: np.vaval@ncl.res.in

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

DOI
https://doi.org/10.1039/C3CP52552J
Article type
Paper
Submitted
19 Jun 2013
Accepted
30 Aug 2013
First published
02 Sep 2013

Phys. Chem. Chem. Phys., 2013,15, 17915-17921

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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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