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Type: Artigo de periódico
Title: A Method For The Determination Of The Hartree-fock Limit: Application To Closed-shell Atoms
Author: Morgon N.H.
Custodio R.
Mohallem J.R.
Abstract: A procedure based on the discretized version of the generator coordinate Hartree-Fock method is introduced to reach the Hartree-Fock SCF limit. The method represents a simple and efficient operation to reach a high level of accuracy of electronic energy. Problems of linear dependence and local minima of energy are controlled. Results for some closed-shell atoms are presented. © 1997 Elsevier Science B.V.
Rights: fechado
Identifier DOI: 
Date Issue: 1997
Appears in Collections:Unicamp - Artigos e Outros Documentos

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