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

15 citations · 15 across the 2 of their papers we have counts for

collaborators

2 papers

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…

physics.chem-ph2022★ 15 cited

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

Jiachen Li, Ye Jin, Neil Qiang Su +1

We applied localized orbital scaling correction (LOSC) in Bethe-Salpeter equation (BSE) to predict accurate excitation energies for molecules. LOSC systematically eliminates the de…