14 citations · 14 across the 3 of their papers we have counts for
4 papers
Basis Functions for Time-Dependent Kohn-Sham Inversion
Paul M. Zimmerman, Joshua Kammeraad, Duy-Khoi Dang +1
Floquet theory provides insight into the inversion of time-dependent Kohn-Sham density functional theory. Specifically, mathematical derivations show that the fundamental frequenci…
Numerical Integration of Slater Basis Functions Over Prolate Spheroidal Grids
Alexander Stark, Nathan Meier, Jeffrey Hatch +3
Slater basis functions have desirable properties that can improve electronic structure simulations, but improved numerical integration methods are needed. This work builds upon the…
Many-Body Basis Set Amelioration Method for Incremental Full Configuration Interaction
Jeffrey P Hatch, Alan E Rask, Duy-Khoi Dang +1
Incremental full configuration interaction (iFCI) is polynomial-cost approach to the FCI limit of electronic structure. This article introduces the many-body basis set amelioration…
Exchange Correlation Potentials from Full Configuration Interaction in a Slater Orbital Basis
Soumi Tribedi, Duy-Khoi Dang, Bikash Kanungo +2
Ryabinkin-Kohut-Staroverov (RKS) theory builds a bridge between wave function theory and density functional theory by using quantities from the former to produce accurate exchange-…