Accelerating inverse Kohn-Sham calculations using reduced density matrices

Bikash Kanungo, Soumi Tribedi, Paul M. Zimmerman +1

The Ryabinkin-Kohut-Staroverov (RKS) and Kanungo-Zimmerman-Gavini (KZG) methods offer two approaches to find exchange-correlation (XC) potentials from ground state densities. The R…