
A SIMPLIFIED ROUTE TO OBTAIN THE HARTREE AND HARTREE-FOCK EQUATIONS
Author(s) -
Rogério Custódio
Publication year - 2015
Publication title -
química nova
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.214
H-Index - 73
eISSN - 1678-7064
pISSN - 0100-4042
DOI - 10.5935/0100-4042.20150083
Subject(s) - hartree–fock method , hartree , mathematics , physics , quantum mechanics
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