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Convergence second-order Schrodinger equation

D. R. Alcoba, F. J. Casquero, L. M. Tel, E. Perez-Romero, and C. Valdemoro, Convergence enhancement in the iterative solution of the second-order contracted Schrodinger equation. Int. [Pg.201]

The basis set convergence error is separate from the accuracy of the particular electronic structure method used to solve the Schrodinger equation (Hartree-Fock, singles and doubles configuration interaction, second-order perturbation theory, etc.). The methods error is defined by... [Pg.89]


See other pages where Convergence second-order Schrodinger equation is mentioned: [Pg.188]    [Pg.134]    [Pg.207]    [Pg.253]    [Pg.91]    [Pg.17]    [Pg.360]    [Pg.48]    [Pg.82]   


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