论文部分内容阅读
Numerically stiff problems in many-body molecular dynamics,for example close encounters in the Coulomb potential,are solved by separating the stff component of the system and integrating it with a higher accuracy method,such as the analytic solution of the two-body Kepler problem or time step subcycling.The remaining many-body part of the system is left at default accuracy,leading to a multiscale approach with improved performance.Results are presented for the Kepler Predictor-Corrector (KPC) integrator.To isolate the component of the final quantum density determined by the initial quantum width,the KPC is used to classically propagate the initial quantum Wigner density.Approaches to obtaining dynamical quantum effects in the Wigner density are discussed.