Calculations of Single Particle time correlation functions from Bose-Einstein Centroid Dynamics

We present an approach to calculate single-particle correlation functions by mapping a quantum system onto a classical-like phase-space represented by the centroids of closed Feynman paths. Exchange effects due to quantum statistics are accounted for via a force which is used in for the calculation of the dynamics of the phase-space centroid variables within the centroid molecular dynamics approximation. We show that the centroid approach works well for systems that have moderate anharmonicity. It was specifically tested for two noninteracting bosons in an anharmonic trap. The next step is to develop computational tools and algorithms that will allow us to calculate single particle correlation functions for realistic physical systems. We are considering the application of the approach to the study of the dynamics of small doped helium clusters.