most citedRelativistic fully self-consistent for molecules: Total energies and ionization potentials

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physics.chem-ph2024★ 1 cited

Relativistic fully self-consistent for molecules: Total energies and ionization potentials

Vibin Abraham, Gaurav Harsha, Dominika Zgid

The fully self-consistent (sc) method with the iterative solution of Dyson equation provides a consistent approach for describing the ground and excited states without any…