2 papers
physics.chem-ph2016
Study of Some Simple Approximations to the Non-Interacting Kinetic Energy Functional
Edison X. Salazar, Pedro F. Guarderas, Eduardo V. Ludeña +2
Within the framework of density functional theory, we present a study of approximations to the enhancement factor of the non-interacting kinetic energy functional . For thi…
physics.chem-ph2012
Application of self-consistent method to improve the performance of model exchange potentials
Valentin V. Karasiev, Eduardo V. Ludeña, Artëm E. Masunov
Self interaction error remains an impotrant problem in density functional theory. A number of approximations to exact exchange aimed to correct for this error while retainining com…