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Coherent quantum transport in disordered systems: II. Temperature dependence of carrier diffusion coefficients from the time-dependent wavepacket diffusion method
time-dependent wavepacket diffusion carrier diffusion coefficient static and dynamic disorder band-like to hopping-type transport
2014/9/24
The time-dependent wavepacket diffusion method for carrier quantum dynamics (Zhong and Zhao 2013J. Chem. Phys.138014111), a truncated version of the stochastic Schrödinger equation/wavefunction a...
Calculation of Viscosity and Diffusion Coefficients for Two Binary Gaseous Mixtures Using the Semi-empirical Inversion Method
Inversion method Viscosity Diffusion Gaseous mixture
2012/4/5
The accurate reduced potential energies for two binary gas mixtures including benzene-methanol and methane-tetrafluoromethane at low density have been obtained by direct inversion of the viscosity col...