A Hybrid Schrödinger / Gaussian Beam Solver for Quantum Barriers and Surface Hopping ∗

  title={A Hybrid Schr{\"o}dinger / Gaussian Beam Solver for Quantum Barriers and Surface Hopping ∗},
  author={Shi Mei Jin Jin and Peng Qi},
In this paper, we propose a hybrid method coupling a Schrödinger solver and the Gaussian beam method for the numerical simulation of quantum tunneling through potential barriers or surface hopping across electronic potential energy surfaces. The idea is to use a Schrödinger solver near potential barriers or zones where potential energy surfaces cross, and the Gaussian beam method–which is much more efficient than a direct Schrödinger solver– elsewhere. Buffer zones are used to convert data… CONTINUE READING


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