Pseudospectral contracted configuration interaction from a generalized valence bond reference
Robert B. Murphy, Richard A. Friesner, Murco N. Ringnalda, William A. Goddard III
1994J. Chem. Phys., 101(4), 2986-299444cited
Abstract
A multireference configuration interaction method is presented based upon pseudospectral integration and a novel generalized valence bond referenced contraction procedure. The combination of these approaches is shown to allow for unprecedented multiconfiguration self‐consistent‐field calculations on large molecules.
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Murphy, R. B., Friesner, R. A., Ringnalda, M. N., & III, W. A. G. (1994). Pseudospectral contracted configuration interaction from a generalized valence bond reference. *J. Chem. Phys.*, *101*(4), 2986-2994. https://doi.org/10.1063/1.467611