Keyword Full configuration interaction | Collection of Czechoslovak Chemical Communications

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Full configuration interaction

Timothy J. Van Huis, Matthew L. Leininger, C. David Sherrill and Henry F. Schaefer, III
Full Configuration Interaction Energies, Geometries, and Quartic Force Fields of the Nitrenium Ion
1998, Vol. 63, Issue 8, pp. 1107–1142 [Abstract]