Publication Date:
2018-08-07
Description:
Author(s): Daniel Kidd, A. S. Umar, and Kálmán Varga An iterative optimization approach that simultaneously minimizes the energy and optimizes the Lagrange multipliers enforcing desired constraints is presented. The method is tested on previously established benchmark systems and it is proved to be efficient and accurate. The approach can also be effi... [Phys. Rev. B 98, 075108] Published Mon Aug 06, 2018
Keywords:
Electronic structure and strongly correlated systems
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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