Efficient ab initio auxiliary-field quantum Monte Carlo calculations in Gaussian bases via low-rank tensor decomposition.
Motta, Mario, Shee, James, Zhang, Shiwei, Chan, Garnet Kin-LicLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.8b00996
Date:
May, 2019
File:
PDF, 2.87 MB
english, 2019