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First-order Properties

First-order properties (dipole moments, quadrupole moments, electric field gradients, spin-densities, etc.) can be evaluated for all computational schemes for which analytic gradients are implemented.

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Page last modified on June 26, 2010, at 09:11 PM
This page has been visited 25 times since December 2010.
CFOUR is partially supported by the U.S. National Science Foundation.