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Fixed--Node, Importance--Sampling Diffusion Monte Carlo for vibrational structure with accurate and compact trial states
Bulik, Ireneusz Wieslaw, Frisch, Michael J., Vaccaro, Patrick HenryLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.8b00016
Date:
February, 2018
File:
PDF, 546 KB
english, 2018