http://www3.interscience.wiley.com/cgi-bin/booktext/114181819/BOOKPDFSTART
Peter Pulay, "Analytical Derivative Methods in Quantum Chemistry",
Adv. Chem. Phys. 69, 241 (1987) (Ab Initio Methods in Quantum Chemistry II,
ed. K.P. Lawley (Wiley, 1987)) http://dx.doi.org/10.1016/0166-1280(86)80070-7
A New dimension to quantum chemistry: Theoretical methods for the analytic
evaluation of first, second, and third derivatives of the molecular
electronic energy with respect to nuclear coordinates
Journal
