Helgaker90

T. Helgaker, E. Uggerud, and H. J. A. Jensen, “Integration of the Classical Equations of Motion on ab initio Molecular-Potential Energy Surfaces Using Gradients and Hessians – Application to Translational Energy-Release Upon Fragmentation,” Chem. Phys. Lett., 173 (1990) 145-50. DOI: 10.1016/0009-2614(90)80068-O