Stochastic Effective Core Potentials, toward Efficient Quantum Monte Carlo Simulations of Molecules with Large Atomic Numbers
Author:
Affiliation:
1. Laboratoire de Chimie Théorique - UMR7616, Sorbonne Université & CNRS, 4 place Jussieu, 75005 Paris, France
Funder
Deutsche Forschungsgemeinschaft
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c01069
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5. Energy-consistent pseudopotentials for quantum Monte Carlo calculations
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