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Type: Artigo
Title: Uma forma simplificada de deduzir as equações de hartree e hartree-fock
Author: Custodio, Rogério
Abstract: Alternative considerably simpler ways of obtaining the Hartree and Hartree-Fock equations are presented. These alternatives do not replace the formal demonstrations, which should be introduced in undergraduate or graduate courses according to the required level of student training. However, the use of the present approaches allows a student-friendlier introduction of the basic principles of electronic structure calculations as a prior teaching resource to the formal demonstrations. General implications and comparisons between the Hartree and Hartree-Fock energies are discussed.
Subject: Equação de Hartree-Fock
Country: Brasil
Editor: Sociedade Brasileira de Química
Rights: Aberto
Identifier DOI: 10.5935/0100-4042.20150083
Date Issue: 2015
Appears in Collections:IQ - Artigos e Outros Documentos

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