168 citations · 934 across the 37 of their papers we have counts for
Showing 2013 · physics.chem-phShow all
2 papers · 2 filters
physics.chem-ph2013★ 32 cited
Fragment-based Treatment of Delocalization and Static Correlation Errors in Density-Functional Theory
Jonathan Nafziger, Adam Wasserman
One of the most important open challenges in modern Kohn-Sham (KS) density-functional theory (DFT) is the correct treatment of fractional electron charges and spins. Approximate ex…
physics.chem-ph2013★ 31 cited
Fragment-based Time-dependent Density-functional Theory
Martin A. Mosquera, Daniel Jensen, Adam Wasserman
Using the Runge-Gross theorem that establishes the foundation of Time-dependent Density Functional Theory (TDDFT) we prove that for a given electronic Hamiltonian, choice of initia…