Using Density Matrix Quantum Monte Carlo for Calculating...

Journal of Chemical Theory and Computation 2020 / 02 Vol. 16; Iss. 2

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

Petras, Hayley R., Ramadugu, Sai Kumar, Malone, Fionn D., Shepherd, James J.
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Volume:
16
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b01080
Date:
February, 2020
File:
PDF, 1.06 MB
english, 2020
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