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Gradients multireference configuration interaction

A. Koslowski, M. E. Beck, and W. Thiel. Implementation of a general multireference configuration interaction procedure with analytic gradients in a semiempirical context using the graphical unitary group approach, J. Comput. Chem., 24 714-726 (2003). [Pg.21]

Shepard, R., Lischka, H., Szalay, P. G., Kovar, T., Ernzerhof, M. (1992). A general multireference configuration interaction gradient program. The Journal of Chemical Physics, 96, 2085-2098. [Pg.560]

See other pages where Gradients multireference configuration interaction is mentioned: [Pg.80]    [Pg.291]    [Pg.63]    [Pg.109]    [Pg.211]    [Pg.221]    [Pg.872]    [Pg.1100]    [Pg.43]    [Pg.216]    [Pg.737]    [Pg.75]    [Pg.211]    [Pg.203]    [Pg.75]   


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