3 resultados para Eigenfunctions

em University of Connecticut - USA


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A simple LCAO-MO for the hydrogen molecule cation is tested for eigenfunctionality and found to be flawed.

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The guessing of eigenfunctions is not trivial at higher quantum numbers, no matter what the system being considered. Instead of guessing, one can employ a symbolic calculus progam (Maple in this case) to aid in the reasoning process.

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In teaching elementary quantum chemistry, the concept of eigenfunctionality is explored using the H-atom's Hamiltonian and various guessed functions. This is done in Cartesian coordinates, in Spherical Polar coordinates, and in Confocal Elliptical coordinates.