3 resultados para split-operator scheme

em University of Connecticut - USA


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A ladder operator solution to the particle in a box problem of elementary quantum mechanics is presented, although the pedagogical use of this method for this problem is questioned.

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The difficulties of applying the Hartree-Fock method to many body problems is illustrated by treating Helium's electrons up to the point where tractability vanishes. Second, the problem of applying Hartree-Fock methods to the helium atom's electrons, when they are constrained to remain on a sphere, is revisited. The 6-dimensional total energy operator is reduced to a 2-dimensional one, and the application of that 2-dimensional operator in the Hartree-Fock mode is discussed.

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The Huckel Molecular Orbtial method is used to treat the MO's of butadiene. The method employs analytical tools and Maple.