8 resultados para Quantum chemistry

em University of Connecticut - USA


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An elementary discussion of some of the mathematics employed in studying Quantum Chemistry in a style appropriate for persons who have not taken advanced mathematical instruction.

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Slightly advanced problems in Physical Chemistry, herein concerning the H-atom and the Hydrogen Molecular Cation, are presented and discussed.

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An introduction to Legendre polynomials as precursor to studying angular momentum in quantum chemistry,

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The continued fraction method for solving differential equations is illustrated using three famous differential equations used in quantum chemistry.

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Quantum Chemistry is usually carried out using Atomic Units, so a careful discussion of these units is warranted.

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If elementary Quantum Chemistry stops at diatomic molecules, some students may be left with false impressions concerning how one builds polyatomic molecule's LCAO-MOs. This reading discusses building such molecular orbitals from atomic orbitals centered at different spatial coordinates.

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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.

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The classical harmonic oscillator and an elementary discussion of the quantum mechanical solutions for the harmonic oscillator are discussed.