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A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: improving reproducibility and reducing the trial-wave-function bias (2019)

First Author: Zen A

Attributed to: Tier 2 Hub in Materials and Molecular Modelling funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.48550/arxiv.1907.04432

Publication URI: https://arxiv.org/abs/1907.04432

Type: Other