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CAP/EOM-CCSD method for the study of potential curves of resonant states
Aryya Ghosh,Anagha Karne,Sourav Pal,Nayana Vaval
Physical Chemistry Chemical Physics Pub Date : 09/02/2013 00:00:00 , DOI:10.1039/C3CP52552J
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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