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Geometry convergence density functional theory

Martin, J. M. L., El-Yazal, J., Francois, J.-P, 1995a, Basis Set Convergence and Performance of Density Functional Theory Including Exact Exchange Contributions for Geometries and Harmonic Frequencies , Mol. Phys., 86, 1437. [Pg.295]

See other pages where Geometry convergence density functional theory is mentioned: [Pg.688]    [Pg.235]    [Pg.210]    [Pg.209]    [Pg.79]    [Pg.288]    [Pg.419]    [Pg.129]    [Pg.495]    [Pg.599]    [Pg.141]    [Pg.577]    [Pg.614]    [Pg.5]    [Pg.173]    [Pg.395]    [Pg.2352]    [Pg.666]    [Pg.42]    [Pg.16]    [Pg.352]    [Pg.315]   


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