A importância do método de Hartree no ensino de química quântica

• Main Authors: Silmar A. do Monte, Elizete Ventura
• Format: Article
• Language: English
• Published: Sociedade Brasileira de Química 2011-01-01
• Series: Química Nova
• Subjects: Hartree's method; teaching quantum chemistry
• Online Access: http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422011000300028&lng=en&tlng=en

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.