Higher-order C n dispersion coefficients for hydrogen

James Mitroy, Michael Bromley

    Research output: Contribution to journalArticleResearchpeer-review

    Abstract

    The complete set of second-, third-, and fourth-order van der Waals coefficients C n up to n=32 for the H(1s)-H(1s) dimer have been determined. They are computed by diagonalizing the nonrelativistic Hamiltonian for hydrogen to obtain a set of pseudostates that are used to evaluate the appropriate sum rules. A study of the convergence pattern for n?16 indicates that all the C n?16 coefficients are accurate to 13 significant digits. The relative size of the fourth-order C n (4) to the second-order C n (2) coefficients is seen to increase as n increases and at n=32 the fourth-order term is actually larger. �2005 The American Physical Society.
    Original languageEnglish
    Pages (from-to)32709-32713
    Number of pages5
    JournalPhysical Review A - Atomic, Molecular, and Optical Physics
    Volume71
    Issue number3
    Publication statusPublished - 2005

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    Mitroy, James ; Bromley, Michael. / Higher-order C n dispersion coefficients for hydrogen. In: Physical Review A - Atomic, Molecular, and Optical Physics. 2005 ; Vol. 71, No. 3. pp. 32709-32713.
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    abstract = "The complete set of second-, third-, and fourth-order van der Waals coefficients C n up to n=32 for the H(1s)-H(1s) dimer have been determined. They are computed by diagonalizing the nonrelativistic Hamiltonian for hydrogen to obtain a set of pseudostates that are used to evaluate the appropriate sum rules. A study of the convergence pattern for n?16 indicates that all the C n?16 coefficients are accurate to 13 significant digits. The relative size of the fourth-order C n (4) to the second-order C n (2) coefficients is seen to increase as n increases and at n=32 the fourth-order term is actually larger. �2005 The American Physical Society.",
    keywords = "Dispersion coefficients, Fourth-order perturbation theory, Radial matrix elements, Radial wave functions, Functions, Hamiltonians, Mathematical models, Matrix algebra, Perturbation techniques, Set theory, Van der Waals forces, Hydrogen",
    author = "James Mitroy and Michael Bromley",
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    Higher-order C n dispersion coefficients for hydrogen. / Mitroy, James; Bromley, Michael.

    In: Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 71, No. 3, 2005, p. 32709-32713.

    Research output: Contribution to journalArticleResearchpeer-review

    TY - JOUR

    T1 - Higher-order C n dispersion coefficients for hydrogen

    AU - Mitroy, James

    AU - Bromley, Michael

    PY - 2005

    Y1 - 2005

    N2 - The complete set of second-, third-, and fourth-order van der Waals coefficients C n up to n=32 for the H(1s)-H(1s) dimer have been determined. They are computed by diagonalizing the nonrelativistic Hamiltonian for hydrogen to obtain a set of pseudostates that are used to evaluate the appropriate sum rules. A study of the convergence pattern for n?16 indicates that all the C n?16 coefficients are accurate to 13 significant digits. The relative size of the fourth-order C n (4) to the second-order C n (2) coefficients is seen to increase as n increases and at n=32 the fourth-order term is actually larger. �2005 The American Physical Society.

    AB - The complete set of second-, third-, and fourth-order van der Waals coefficients C n up to n=32 for the H(1s)-H(1s) dimer have been determined. They are computed by diagonalizing the nonrelativistic Hamiltonian for hydrogen to obtain a set of pseudostates that are used to evaluate the appropriate sum rules. A study of the convergence pattern for n?16 indicates that all the C n?16 coefficients are accurate to 13 significant digits. The relative size of the fourth-order C n (4) to the second-order C n (2) coefficients is seen to increase as n increases and at n=32 the fourth-order term is actually larger. �2005 The American Physical Society.

    KW - Dispersion coefficients

    KW - Fourth-order perturbation theory

    KW - Radial matrix elements

    KW - Radial wave functions

    KW - Functions

    KW - Hamiltonians

    KW - Mathematical models

    KW - Matrix algebra

    KW - Perturbation techniques

    KW - Set theory

    KW - Van der Waals forces

    KW - Hydrogen

    M3 - Article

    VL - 71

    SP - 32709

    EP - 32713

    JO - Physical Review A

    JF - Physical Review A

    SN - 1050-2947

    IS - 3

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