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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.

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