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In order to quickly study quantum devices in transient problems, this workdemonstrates an analytical algorithm to solve the Hartree potential associatedwith charge fluctuations in the time-dependent non-equilibrium green function(TDNEGF) method. We implement the calculations in the heterojunction system ofgold metals and silicon quantum dots for applications of photoelectricsemiconductors in the future. Numerical results for the transient solutions areshown to be valid by comparing with the steady solutions calculated by thestandard time-independent density functional method.

A fast model based on muffin-tin approximation to study charge transfer  effects in time-dependent quantum transport simulations: doped Si-SiO2  quantum-dot systems