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    Oscillations in meta-generalized-gradient approximation potential energy surfaces for dispersion-bound complexes 

    Johnson, Erin R.; Becke, Axel D.; Sherrill, C. David; DiLabio, Gino A. (Georgia Institute of Technology, 2009-07)
    Meta-generalized-gradient approximations (meta-GGAs) in density-functional theory are exchange-correlation functionals whose integrands depend on local density, density gradient, and also the kinetic-energy density. It has ...

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    AuthorBecke, Axel D. (1)DiLabio, Gino A. (1)Johnson, Erin R. (1)Sherrill, C. David (1)Subject
    Density functional theory (1)
    Electron correlations (1)
    Exchange interactions (electron) (1)
    Molecular moments (1)
    Potential energy surfaces (1)
    ... View MoreDate Issued
    2009 (1)
    Has File(s)
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