Open AccessPlane-wave pseudopotential implementation of explicit integrators for time-dependent Kohn-Sham equations in large-scale simulations
Author(s) -
André Schleife,
Erik W. Draeger,
Yosuke Kanai,
Alfredo A. Correa
Publication year - 2012
Publication title -
carolina digital repository (university of north carolina at chapel hill)
Language(s) - English
DOI - 10.17615/x5ha-5k10
Subject(s) - pseudopotential , integrator , kohn–sham equations , scale (ratio) , plane wave , plane (geometry) , physics , mathematics , mathematical analysis , classical mechanics , computational physics , geometry , quantum mechanics , density functional theory , voltage