3 resultados para split-operator scheme
em University of Connecticut - USA
Resumo:
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.
Resumo:
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.
Resumo:
The Huckel Molecular Orbtial method is used to treat the MO's of butadiene. The method employs analytical tools and Maple.