1,211 research outputs found

    A forecast for theoretical chemistry

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    Application of quantum mechanics in theoretical chemistr

    Applicability of perturbation theory to molecular problems

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    Perturbation theory used in quantum mechanics to determine molecular energy and propertie

    Approximation of expectation values

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    Approximation of expectation values by perturbation theor

    On optimizing the treatment of exchange perturbations

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    A method using the zeroth plus first order wave functions, obtained by optimizing the basic equation used in exchange perturbation treatments, is utilized in an attempt to determine the exact energy and wave function in the exchange process. Attempts to determine the first order perturbation solution by optimizing the sum of the first and second order energies were unsuccessful

    New partitioning perturbation theory. 1 - General formalism

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    General formalism of partitioning perturbation theory - Part
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