15 citations · 29 across the 3 of their papers we have counts for
3 papers
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…
An Interdisciplinary Outlook on Large Language Models for Scientific Research
James Boyko, Joseph Cohen, Nathan Fox +9
In this paper, we describe the capabilities and constraints of Large Language Models (LLMs) within disparate academic disciplines, aiming to delineate their strengths and limitatio…
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-…