Using Density Matrix Quantum Monte Carlo for Calculating Exact-on-Average Energies for ab Initio Hamiltonians in a Finite Basis Set
Author:
Affiliation:
1. Quantum Simulations Group, Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94551, United States
Funder
University of Iowa
U.S. Department of Energy
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b01080
Reference73 articles.
1. Frontiers and Challenges in Warm Dense Matter
2. The uniform electron gas at warm dense matter conditions
3. Progress in warm dense matter study with applications to planetology
4. Progress in the study of warm dense matter
5. Hot Electrons Do the Impossible: Plasmon-Induced Dissociation of H2 on Au
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