Using Density Matrix Quantum Monte Carlo for Calculating Exact-on-Average Energies for ab Initio Hamiltonians in a Finite Basis Set

Published 2020 View Full Article

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Title
Using Density Matrix Quantum Monte Carlo for Calculating Exact-on-Average Energies for ab Initio Hamiltonians in a Finite Basis Set
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 16, Issue 2, Pages 1029-1038
Publisher
American Chemical Society (ACS)
Online
2020-01-17
DOI
10.1021/acs.jctc.9b01080

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