Heterogeneous CPU + GPU Algorithm for Variational Two-Electron Reduced-Density Matrix-Driven Complete Active-Space Self-Consistent Field Theory

标题
Heterogeneous CPU + GPU Algorithm for Variational Two-Electron Reduced-Density Matrix-Driven Complete Active-Space Self-Consistent Field Theory
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 15, Issue 11, Pages 6164-6178
出版商
American Chemical Society (ACS)
发表日期
2019-09-26
DOI
10.1021/acs.jctc.9b00768

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