Artículos de revistas
A Simplified Route To Obtain The Hartree And Hartree-fock Equations
Registro en:
A Simplified Route To Obtain The Hartree And Hartree-fock Equations. Soc Brasileira Quimica, v. 38, p. 995-1001 AUG-2015.
0100-4042
WOS:000362365900018
10.5935/0100-4042.20150083
Autor
Custodio
Rogerio
Institución
Resumen
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. 38 7
995 1001