Mobile Block Hessian (MBH)

Lead

A. Ghysels, D. Van Neck, V. Van Speybroeck, T. Verstraelen and M. Waroquier, Vibrational Modes in partially optimized molecular systems Journal of Chemical Physics126, 224102 (2007)

Suggested

A. Ghysels, D. Van Neck and M. Waroquier, Cartesian formulation of the Mobile Block Hessian Approach to vibrational analysis in partially optimized systems Journal of Chemical Physics127, 164108 (2007)