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arXiv · 1812.04200

Transparent Boundary Conditions for the Time-Dependent Schr\"odinger Equation with a Vector Potential

Jason Kaye·Leslie Greengard
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Abstract

We consider the problem of constructing transparent boundary conditions for the time-dependent Schr\"odinger equation with a compactly supported binding potential and, if desired, a spatially uniform, time-dependent electromagnetic vector potential. Such conditions prevent nonphysical boundary effects from corrupting a numerical solution in a bounded computational domain. We use ideas from potential theory to build exact nonlocal conditions for arbitrary piecewise-smooth domains. These generalize the standard Dirichlet-to-Neumann and Neumann-to-Dirichlet maps known for the equation in one dimension without a vector potential. When the vector potential is included, the condition becomes non-convolutional in time. For the one-dimensional problem, we propose a simple discretization scheme and a fast algorithm to accelerate the evaluation of the boundary condition.

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Jason Kaye, Leslie Greengard. 2018-12-11. Transparent Boundary Conditions for the Time-Dependent Schr\"odinger Equation with a Vector Potential. https://arxiv.org/abs/1812.04200

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