Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/78382
Type: Artigo de periódico
Title: The Auger spectra and the calculation of double-ionization potentials for H2O and NH3 using the Diffusion Quantum Monte Carlo method
Author: Streit, L
Custodio, R
Abstract: Diffusion Quantum Monte Carlo (DQMC) method was used to calculate Auger transitions and vertical double-ionization potentials (DIPs) for water and ammonia. The results for both molecules obtained in simple conditions present deviations of 0.90 eV for the Auger transitions and of 0.88 eV for DIPs with respect to the experimental data. (C) 2009 Elsevier B.V. All rights reserved.
Country: Holanda
Editor: Elsevier Science Bv
Rights: fechado
Identifier DOI: 10.1016/j.cplett.2009.09.084
Date Issue: 2009
Appears in Collections:Artigos e Materiais de Revistas Científicas - Unicamp

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