Frederick Ira Moxley III, Weizhong Dai
The Finite-Difference Time-Domain (FDTD) method is a well-known technique for the analysis of quantum devices. It solves a discretized Schrodinger equation in an explicitly iterative process. However, the method requires the spatial grid size and time step satisfy a very restricted condition in order to prevent the numerical solution from diverging. In this article, we present a generalized FDTD (G-FDTD) method for solving the multi-dimensional time-dependent Schrodinger equation, and obtain a more relaxed condition for stability when the finite difference approximations for spatial derivatives are employed. As such, a larger time step may be chosen. This is particularly important for quantum computations. The new G-FDTD method is tested by simulation of a particle moving in 2-D free space and then hitting an energy potential. Numerical results coincide with those obtained based on the theoretical analysis.
View original:
http://arxiv.org/abs/1212.0801
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