175 citations · 307 across the 6 of their papers we have counts for
3 papers · 2 filters
Accurate numerical integration of an electron exchange hole with a screened Coulomb interaction
Jonathan E. Moussa, Peter A. Schultz
The numerical implementation of an exchange-correlation functional is not always an accurate reproduction of its theoretical specification. For example, density functionals for exc…
Simulation and modeling of the electronic structure of GaAs damage clusters
Jonathan E. Moussa, Stephen M. Foiles, Peter A. Schultz
In an effort to build a stronger microscopic foundation for radiation damage models in gallium arsenide (GaAs), the electronic properties of radiation-induced damage clusters are s…
Analysis of the Heyd-Scuseria-Ernzerhof density functional parameter space
Jonathan E. Moussa, Peter A. Schultz, James R. Chelikowsky
The Heyd-Scuseria-Ernzerhof (HSE) density functionals are popular for their ability to improve the accuracy of standard semilocal functionals such as Perdew-Burke-Ernzerhof (PBE),…