164 citations · 282 across the 12 of their papers we have counts for
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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…
Localized orbital scaling correction for periodic systems
Aaron Mahler, Jacob Z. Williams, Neil Qiang Su +1
Density functional theory offers accurate structure prediction at acceptable computational cost, but commonly used approximations suffer from delocalization error; this results in…
Wannier Functions Dually Localized in Space and Energy
Aaron Mahler, Jacob Z. Williams, Neil Qiang Su +1
The construction of Wannier functions from Bloch orbitals offers a unitary freedom that can be exploited to yield Wannier functions with advantageous properties. Minimizing the spa…