Intracule Functional Models I. Angle-corrected correlation kernels (2007)
AuthorsDumont, E.E., Crittenden, D.L., Gill, P.M.W.show all
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.
CitationDumont, E.E., Crittenden, D.L., Gill, P.M.W. (2007) Intracule Functional Models I. Angle-corrected correlation kernels. Physical Chemistry Chemical Physics, 9, pp. 5340-5343.
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