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(Reference retrieved automatically from SciELO through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

A SIMPLIFIED ROUTE TO OBTAIN THE HARTREE AND HARTREE-FOCK EQUATIONS

Full text
Author(s):
Rogério Custodio [1]
Total Authors: 1
Affiliation:
[1] Universidade Estadual de Campinas. Instituto de Química - Brasil
Total Affiliations: 1
Document type: Journal article
Source: Química Nova; v. 38, n. 7, p. 995-1001, 2015-08-00.
Abstract

AbstractAlternative 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. (AU)

FAPESP's process: 13/08293-7 - CCES - Center for Computational Engineering and Sciences
Grantee:Munir Salomao Skaf
Support Opportunities: Research Grants - Research, Innovation and Dissemination Centers - RIDC