화학공학소재연구정보센터
Journal of Chemical Physics, Vol.104, No.2, 576-582, 1996
Analysis of the Zero-Point Energy Problem in Classical Trajectory Simulations
We examine methods for dealing with the flow of zero-point energy in classical trajectory simulations and identify some of the problems associated with their use. Fundamental issues which must be considered, both in assessing the extent of the zero-point energy problem and in the development of useful remedies, are discussed.