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A reduced-cost two-component relativistic equation-of-motion coupled cluster method for the double electron attachment problem

Mandal, Sujan et al.
arXiv (OAI Expanded) · Papers
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chemical-physics
We present a computationally efficient relativistic formulation of the equation-of-motion coupled-cluster (EOM-CC) method for the double electron attachment (DEA) problem. In this work, the exact two-component Hamiltonian within the atomic mean-field approximation is employed, yielding results that
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