most citedCombining Localized Orbital Scaling Correction and Bethe-Salpeter Equation for Accurate Excitation Energies

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quant-ph2024

Rigorous Formalization of Orbital Functionals: Addressing the Noninteracting -Representability Problem

Neil Qiang Su

Functionals that explicitly depend on occupied, unoccupied, or fractionally-occupied orbitals are rigorously formalized using Clifford algebras, and a variational principle is esta…