
A importância do método de Hartree no ensino de química quântica
2011; Brazilian Chemical Society; Volume: 34; Issue: 3 Linguagem: Inglês
10.1590/s0100-40422011000300028
ISSN1678-7064
AutoresSilmar A. do Monte, Elizete Ventura,
Tópico(s)Experimental and Theoretical Physics Studies
ResumoMETHOD IN TEACHING QUANTUM CHEMISTRY.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.
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