Fast and stable method for simulating quantum electron dynamics
Naoki WatanabeDepartment of Physics, Graduate School of Science, University of Tokyo, 7-3-1 Hongo, 113-0033 Bunkyo-ku, Tokyo, JapanMasaru TsukadaDepartment of Physics, Graduate School of Science, University of Tokyo, 7-3-1 Hongo, 113-0033 Bunkyo-ku, Tokyo, Japan
2000en
ABI
Abstract
A fast and stable method is formulated to compute the time evolution of a wave function by numerically solving the time-dependent Schrodinger equation. This method is a real-space-real-time evolution method implemented by several computational techniques such as Suzuki's exponential product, Cayley's form, the finite differential method, and an operator named adhesive operator. This method conserves the norm of the wave function, manages periodic conditions and adaptive mesh refinement technique, and is suitable for vector- and parallel-type supercomputers. Applying this method to some simple electron dynamics, we confirmed the efficiency and accuracy of the method for simulating fast time-dependent quantum phenomena.
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