A Localized-Orbital Energy Evaluation for Auxiliary-Field Quantum Monte Carlo.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00111
Abstract: Phaseless auxiliary-field quantum Monte Carlo (ph-AFQMC) has recently emerged as a promising method for the production of benchmark-level simulations of medium- to large-sized molecules because of its accuracy and favorable polynomial scaling with system size.… read more here.
Keywords: quantum monte; energy; localized orbital; auxiliary field ... See more keywords