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Type: Artigo de periódico
Title: Efficient implementation of the Hellmann-Feynman theorem in a diffusion Monte Carlo calculation
Author: Vitiello, SA
Abstract: Kinetic and potential energies of systems of He-4 atoms in the solid phase are computed at T = 0. Results at two densities of the liquid phase are presented as well. Calculations are performed by the multiweight extension to the diffusion Monte Carlo method that allows the application of the Hellmann-Feynman theorem in a robust and efficient way. This is a general method that can be applied in other situations of interest as well. (C) 2011 American Institute of Physics. [doi:10.1063/1.3532411]
Country: EUA
Editor: Amer Inst Physics
Citation: Journal Of Chemical Physics. Amer Inst Physics, v. 134, n. 5, 2011.
Rights: aberto
Identifier DOI: 10.1063/1.3532411
Date Issue: 2011
Appears in Collections:Unicamp - Artigos e Outros Documentos

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