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    Intracule Functional Models I. Angle-corrected correlation kernels

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    12621928_PCCP_2007_9_5340.pdf (516.8Kb)
    Author
    Dumont, E.E.
    Crittenden, D.L.
    Gill, P.M.W.
    Date
    2007
    Permanent Link
    http://hdl.handle.net/10092/3660

    We explore the merits of applying a simple angle-dependent correction to the correlation kernel within the framework of Hartree–Fock–Wigner theory. Based on numerical results for the first eighteen atoms, we conclude that such a correction offers a significant improvement over the action kernel that we and others have explored previously.

    Subjects
    Fields of Research::240000 Physical Sciences::240300 Atomic and Molecular Physics; Nuclear and Particle Physics, Plasma Physics::240301 Atomic and molecular physics
     
    Fields of Research::250000 Chemical Sciences::250600 Theoretical and Computational Chemistry::250601 Quantum chemistry
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    • Science: Journal Articles [906]
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    https://hdl.handle.net/10092/17651

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