Publication Date:
2018-07-27
Description:
Author(s): Kai Luo, Valentin V. Karasiev, and S. B. Trickey A simple, unconventional, nonempirical, constraint-based orbital-free generalized gradient approximation (GGA) noninteracting kinetic energy density functional is presented along with illustrative applications. The innovation is adaptation of constraint-based construction to the essential properties... [Phys. Rev. B 98, 041111(R)] Published Thu Jul 26, 2018
Keywords:
Electronic structure and strongly correlated systems
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics