Constrained density functional theory calculation with iterative optimization

Kidd, Daniel; Umar, A. S.; Varga, Kálmán

doi:10.1103/physrevb.98.075108

Title: Constrained density functional theory calculation with iterative optimization

Journal Article · Wed Aug 01 00:00:00 EDT 2018 · Physical Review B

DOI:https://doi.org/10.1103/physrevb.98.075108· OSTI ID:1540934

Kidd, Daniel; Umar, A. S.; Varga, Kálmán

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Research Organization:: Vanderbilt Univ., Nashville, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0013847

OSTI ID:: 1540934

Journal Information:: Physical Review B, Vol. 98, Issue 7; ISSN 2469-9950

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

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