Quantum Generalization of Molecular Dynamics Method. Wigner Approach

The new method for solving Wigner-Liouville’s type equations and studying dynamics of quantum particles has been developed within the Wigner formulation of quantum statistical mechanics. This approach combines both molecular dynamics and Monte Carlo methods and computes traces and spectra of the relevant dynamical quantities. Considering, as an application, the quantum dynamics of an ensemble of interacting electrons in an array of random scatterers clearly demonstrates that the many-particle interaction between the electrons can lead to an enhancement of the electrical conductivity.