Robust, accurate, and efficient: quantum embedding using the Huzinaga level-shift projection operator for complex systems
Graham, Daniel Sterling, Wen, Xuelan, Chulhai, Dhabih Vishaal, Goodpaster, Jason D.Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b01185
Date:
February, 2020
File:
PDF, 2.25 MB
english, 2020