Publication Date:
2013-06-12
Description:
Author(s): Prashant Singh, Manoj K. Harbola, Biplab Sanyal, and Abhijit Mookerjee In this paper, we report an adaptation of the Harbola-Sahni (HS) exchange potential to the tight-binding linear muffin-tin orbital (TB-LMTO) method to determine band gaps (BGs) of solids accurately. We show that the electrostatic basis of derivation of the Harbola-Sahni potential allows this nonvari... [Phys. Rev. B 87, 235110] Published Tue Jun 11, 2013
Keywords:
Electronic structure and strongly correlated systems
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics