A importância do método de Hartree no ensino de química quântica


Autoria(s): Monte,Silmar A. do; Ventura,Elizete
Data(s)

01/01/2011

Resumo

Hartree's original ideas are described. Its connection with electrostatics can be explored in order to decrease the gap between teaching of Physics and Chemistry. As a consequence of its simplicity and connection with electrostatics, it is suggested that Hartree's method should be presented before the Hartree-Fock method. Besides, since the fundamental concepts of indistinguishibility of electrons along with the antissimetry of the wave function are missing in the Hartree's product, the method itself can be used to introduce these concepts. Despite the fact that these features are not included in the trial wavefunction, important qualitatively correct results can be obtained.

Formato

text/html

Identificador

http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422011000300028

Idioma(s)

pt

Publicador

Sociedade Brasileira de Química

Fonte

Química Nova v.34 n.3 2011

Palavras-Chave #Hartree's method #teaching quantum chemistry
Tipo

journal article