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    Energy of CH Calculated by Many-Body Perturbation Theory

    T. E. H. Walker and Hugh P. Kelly

    • Department of Physics, University of Virginia, Charlottesville, Virginia 22901

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    Phys. Rev. A 5, 1986 – Published 1 May, 1972

    DOI: https://doi.org/10.1103/PhysRevA.5.1986

    Abstract

    The many-body perturbation theory of Brueckner and Goldstone has been used to calculate the total nonrelativistic energy of the CH molecule. We have used a single-center expansion with a complete set of basis states appropriate to the neutral carbon atom. At the equilibrium internuclear separation we calculate the total energy for CH to be -38.482±0.02 a. u. as compared with the experimental value -38.479 a. u. We have also calculated a full potential curve for the Π2 ground state of CH accurate to second order in the perturbation expansion.

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    Phys. Rev. A 5, 1986– Published 1 May, 1972
    • Received 10 January 1972

    © 1972 American Physical Society

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