Electron transport in disordered systems: A nonequilibrium quantum-molecular-dynamics approach

For mixed systems of quantum and classical particles, a simulation approach is developed to calculate the transport coefficients of quantum particles. Simulating the real-time evolution by quantum molecular dynamics, the response is obtained by applying a subtraction technique to the motion of quantum particles at zero and finite fields. This approach is efficient and yields a good signal-to-noise ratio. Using an excess-electron-in-helium gas as a test system, the mobility of the electron is calculated at a finite temperature and the results are found to be in good agreement with experiments