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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

1678-7064

Silmar A. do Monte, Elizete Ventura,

Experimental and Theoretical Physics Studies

METHOD 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.