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CAP/EOM-CCSD method for the study of potential curves of resonant states
Aryya Ghosh1, Anagha Karne, Sourav Pal
1Physical Chemistry Division, CSIR-National Chemical Laboratory, Pune 411008, India. 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.
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