标题
eQE 2.0: Subsystem DFT beyond GGA functionals
作者
关键词
Electronic structure, Density-functional theory, Subsystem density functional theory, Parallel computing, Embedding
出版物
COMPUTER PHYSICS COMMUNICATIONS
Volume 269, Issue -, Pages 108122
出版商
Elsevier BV
发表日期
2021-08-05
DOI
10.1016/j.cpc.2021.108122
参考文献
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