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physics.chem-ph2023
Effect of Charge and Solvation Shell on Non-Radiative Decay Processes in s-Block Cationic Metal Ion Water Clusters
Ravi Kumar, Aryya Ghosh, Nayana Vaval
A molecular cluster's inner valence ionized state undergoes autoionization, which is nonlocal by nature. In a molecular system, when the inner valence's ionization potential (IP) i…
physics.chem-ph2022★ 8 cited
Effect of Protonation and Deprotonation on Electron Transfer Mediated Decay and Interatomic Coulombic Decay
Ravi Kumar, Dr. Nayana Vaval
Electronically excited atoms or molecules in an environment are often subject to interatomic/intermolecular Coulombic decay (ICD) and/or electron transfer mediated decay (ETMD) mec…
physics.chem-ph2022★ 9 cited
Decay Processes in Cationic Alkali Metals in Microsolvated Clusters: A Complex Absorbing Potential Based Equation-of-Motion Coupled Cluster Investigation
Ravi Kumar, Aryya Ghosh, Nayana Vaval
We have employed the highly accurate complex absorbing potential based ionization potential equation-of-motion coupled cluster singles and doubles (CAP-IP-EOM-CCSD) method to study…