3 papers
physics.atom-ph2024
Relativistic equation-of-motion coupled-cluster theory analysis of black-body radiation shift in the clock transition of Zn I
Somesh Chamoli, Anmol Mishra, Richa Sharma Kesarkar +2
We have employed equation-of-motion coupled-cluster (EOM-CC) method in the four-component relativistic theory framework to understand roles of electron correlation effects in the $…
physics.chem-ph2024
A Reduced Cost Four-Component Relativistic Unitary Coupled Cluster Method for Molecules
Kamal Majee, Tamoghna Mukhopadhyay, Malaya K. Nayak +1
We present a four-component relativistic unitary coupled cluster method for molecules. We have used commutator-based non-perturbative approximation using the ''Bernoulli expansion'…
physics.chem-ph2023
Shape resonance induced electron attachment to Cytosine: The effect of aqueous media
Pooja Verma, Madhubani Mukherjee, Achintya Kumar Dutta
We have investigated the impact of microsolvation on the shape resonance states of nucleobases, taking cytosine as a case study. To characterize the resonance position and decay wi…