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physics.chem-ph2024
Spin-free exact two-component linear response coupled cluster theory for estimation of frequency-dependent second-order property
Sudipta Chakraborty, Tamoghna Mukhopadhyay, Achintya Kumar Dutta
We have presented the theory, implementation, and benchmark results for the one-electronic variant of spin-free exact two-component (SFX2C1e) linear response coupled cluster (LRCCS…
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 $…