Formulation and Implementation of the Spin-Restricted Ensemble-Referenced Kohn–Sham Method in the Context of the Density Functional Tight Binding Approach

Title
Formulation and Implementation of the Spin-Restricted Ensemble-Referenced Kohn–Sham Method in the Context of the Density Functional Tight Binding Approach
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 15, Issue 5, Pages 3021-3032
Publisher
American Chemical Society (ACS)
Online
2019-04-11
DOI
10.1021/acs.jctc.9b00132

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