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Type: Artigo de periódico
Title: Comments on the quantum Monte Carlo method and the density matrix theory
Author: Politi, JRD
Custodio, R
Abstract: Density matrix theory is implemented in a variational quantum Monte Carlo computation of electronic properties of atoms and molecules. Differences between electronic densities from conventional and density matrix methods are detected. However, calculated properties present similar behavior and partial antisymmetry can be ignored in the cases studied. (C) 2003 American Institute of Physics.
Country: EUA
Editor: Amer Inst Physics
Citation: Journal Of Chemical Physics. Amer Inst Physics, v. 118, n. 11, n. 4781, n. 4783, 2003.
Rights: aberto
Identifier DOI: 10.1063/1.1558393
Date Issue: 2003
Appears in Collections:Unicamp - Artigos e Outros Documentos

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