Publication Date:
2012-06-26
Description:
Author(s): Lin Lin and Lexing Ying We present a method to discretize the Kohn-Sham Hamiltonian matrix in the pseudopotential framework by a small set of basis functions automatically contracted from a uniform basis set such as plane waves. Each basis function is localized around an element, which is a small part of the global domain ... [Phys. Rev. B 85, 235144] Published Mon Jun 25, 2012
Keywords:
Electronic structure and strongly correlated systems
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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