Publication Date:
2015-09-16
Description:
Author(s): Lin-Hui Ye Although the supercell method has been widely used for surface calculations, it only works well with short-ranged potentials, but meets difficulty when the potential decays very slowly into the vacuum. Unfortunately, the exact exchange-correlation potential of the density functional theory is asympt… [Phys. Rev. B 92, 115132] Published Tue Sep 15, 2015
Keywords:
Electronic structure and strongly correlated systems
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics