Communication: Toward an improved control of the fixed-node error in quantum Monte Carlo: The case of the water molecule
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4947093
Reference29 articles.
1. Alleviation of the Fermion-Sign Problem by Optimization of Many-Body Wave Functions
2. Correlated Monte Carlo wave functions for the atoms He through Ne
3. Using perturbatively selected configuration interaction in quantum Monte Carlo calculations
4. Accurate nonrelativistic ground-state energies of 3d transition metal atoms
5. Fixed-node diffusion Monte Carlo potential energy curve of the fluorine molecule F2 using selected configuration interaction trial wavefunctions
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