1,425 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

    Coordinates which diagonalize the kinetic energy of relative motion

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    General coordinate sets for diagonalizing relative kinetic energy of N particle syste

    The energy of interaction between two hydrogen atoms by the Gaussian-type functions

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    Energy of interaction between two hydrogen atoms in their ground states described by Gauss-type function

    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

    The resolution of a perturbed wave function into its symmetry components

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    Resolving perturbed wave functions into unperturbed Hamiltonian

    Different Screening Constants for Different Physical Properties, I

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    Wave functions with embedded screening constants for quantum mechanical ground state calculations on two-electron atom with nuclear charg

    MOLECULAR PHYSIC AND INTERMOLECULAR FORCES

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    Cooch-Behar Professorship Lecture for 1953, delivered in the Indian Association for the Cultivation of Science, April 195
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