화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.110, No.16, 5446-5449, 2006
Zero-point energy constraint in quasi-classical trajectory calculations
A method to constrain the zero-point energy in quasi-classical trajectory calculations is proposed and applied to the Henon-Heiles system. The main idea of this method is to smoothly eliminate the coupling terms in the Hamiltonian as the energy of any mode falls below a specified value.