most citedAnalytic Calculation of Transition dipole moment using four-component relativistic equation-of-motion coupled-cluster expectation value approach

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physics.chem-ph2023★ 1 cited

Analytic Calculation of Transition dipole moment using four-component relativistic equation-of-motion coupled-cluster expectation value approach

Tamoghna Mukhopadhyay, Sudipta Chakraborty, Somesh Chamoli +2

We have developed an efficient scheme for the calculation of transition properties within the four-component relativistic equation-of-motion coupled-cluster (EOM-CC) method using t…