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

标题
Formulation and Implementation of the Spin-Restricted Ensemble-Referenced Kohn–Sham Method in the Context of the Density Functional Tight Binding Approach
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 15, Issue 5, Pages 3021-3032
出版商
American Chemical Society (ACS)
发表日期
2019-04-11
DOI
10.1021/acs.jctc.9b00132

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