71 resultados para chemistry education
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The Stefan Boltzmann equation is obtained using a non-traditional Carnot Engine. In addition, the original Planck argument for radiation density is given.
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In the spirit of trying to convert people to understanding atomic orbitals centered elsewhere than the origin, we continue the discussion of visualizing molecular orbitals, so called LCAO-MO, using various plotting tricks in Maple.
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The second chapter of the Case text on the phase rule, this time dealing with two component systems, added to by the author, is presented here.
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The classical harmonic oscillator and an elementary discussion of the quantum mechanical solutions for the harmonic oscillator are discussed.
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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 1937 paper of Gronwall which concerns an alternative form for the Schrodinger Equation of the 2-electron Helium problem is re-derived in a (hopefully) transparent (possibly pedestrian) manner.
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The Runge-Lenz equivalent for the Hydrogen Molecular Cation (and the Earth, Moon and Sun) problem is obtained
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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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An improved argument about collisions in gas phase kinetics is elaborated upon, based on textbook arguments which oversimplify the concepts.
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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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A Maple scheme for quickly parameterizing vibrational potential energy functions is presented. As an example, the potential energy function's parameters for the vibrational motions in H_2O_2 are obtained assuming the simplest potential energy function. This paper was originally written as a research paper, but rejected by the referees. It is therefore being edited into an ``educational'' paper for student usage.
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The Frobenius solution to Legendre/s equation is developed in detail as is Rodrigue's formula, which is employed to normalize Legendre polynomials.
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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 Frobenius solution to the differential equations associated with the harmonic oscillator (QM) is carried out in detail.
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The continued fraction method for solving differential equations is illustrated using three famous differential equations used in quantum chemistry.