Stavros C Farantos: 1 book
Nonlinear Hamiltonian Mechanics Applied to Molecular Dynamics
Theory and Computational Methods for Understanding Molecular Spectroscopy and Chemical Reactions
Language: English
Release Date: September 22, 2014
This brief presents numerical methods for describing and calculating invariant phase space structures, as well as solving the classical and quantum equations of motion for polyatomic molecules. Examples covered include simple model systems to realistic cases of molecules spectroscopically studied.
Vibrationally...
