IBADNUMB

number of U(I,J) coefficients which in a second derivative calculation using perturbed canonical orbitals (generally MBPT(4) and CCSD(T)) must be treated in the usual non-canonical way due to (near) singularities.

Data type: integer. Dimension: 1 Written by: xcphf.

For variable definition see: Terms of reference.

Edit - History - Print - Recent Changes - Search

Page last modified on June 14, 2011, at 03:28 PM

CFOUR is partially supported by the U.S. National Science Foundation.