| Our present work is devoted to the application and development of centroid molecular dynamics and Bose-Einstein centroid molecular dynamics methods. Using the recently developed operator formalism of centroid molecular dynamics we can assign classical-like variables to physical observables of a quantum system, which we refer to as centroid variables. Using classical-like equations of motion we can dynamically evolve the centroid phase space variables using classical molecular dynamics algorithms. Using Bose-Einstein centroid molecular dynamics allows us to incorporate quantum statistics into our calculations.;We first show that Bose-Einstein centroid molecular dynamics correctly accounts for the quantum statistics of a two particle anharmonic system. Secondly we apply centroid molecular dynamics to an anisotropic system keeping in mind that future calculations will be generalized to many particles. The later calculation required the development of a constrained path integral Monte Carlo, algorithm which is described as well. |
