25 resultados para Biochemistry|Physical chemistry|Bioinformatics
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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.
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This is a set of P. Chem. problems posed at slightly higher than the normal text book level, for students who are continuing in the study of this subject.
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Helium Hamiltonian transformations are discussed in extreme detail.
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These readings are a compendium of earlier works put together and corrected for errors. The subject is solution thermodynamics, based on the one dimensional binary solution as "extended" to three dimensions.
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One component systems are treated from the point of view of the Gibbs' phase rule.
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A scheme is introduced which allows computer readable multiple choice forms used in traditional examinations to be employed for constructed response items.
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DeMoivre's theorem is of great utility in some parts of physical chemistry and is re-introduced here.
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The interactions employed in the “linear” reaction A(g)+BC(g) -> AB(g) + C(g) in a “one dimensional world” can be used to illustrate the “reaction coördinate”, using Maple, in a manner which allows students to inspect potential energy surfaces, make contour maps of those surfaces, and conceptually construct the “reaction coördinate” by tracing the local minimum path on the surface created.“one dimensional world” can be used to illustrate the “reaction coördinate”, using Maple, in a manner which allows students to inspect potential energy surfaces, make contour maps of those surfaces, and conceptually construct the “reaction coördinate” by tracing the local minimum path on the surface created.