Geometry Optimizations in a Subsystem Density Functional Theory Formalism: A Benchmark Study

标题
Geometry Optimizations in a Subsystem Density Functional Theory Formalism: A Benchmark Study
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 14, Issue 11, Pages 5631-5644
出版商
American Chemical Society (ACS)
发表日期
2018-10-02
DOI
10.1021/acs.jctc.8b00475

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