DFTB3 Parametrization for Copper: The Importance of Orbital Angular Momentum Dependence of Hubbard Parameters

Title
DFTB3 Parametrization for Copper: The Importance of Orbital Angular Momentum Dependence of Hubbard Parameters
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 11, Issue 9, Pages 4205-4219
Publisher
American Chemical Society (ACS)
Online
2015-08-12
DOI
10.1021/acs.jctc.5b00600

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