Multiresolution scheme for Time-Dependent Schrödinger Equation |
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Authors: | Emmanuel Lorin A.D. Bandrauk |
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Affiliation: | a Centre de Recherches Mathématiques, Montréal, Québec, H3T 1J4, Canada b Laboratoire de chimie théorique, Faculté des Sciences, Université de Sherbrooke, Québec, J1K 2R1, Canada c School of Mathematics and Statistics, Carleton University, Ottawa, K1S 5B6, Canada |
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Abstract: | This paper is devoted to a multiresolution approach for solving laser-molecule Time-Dependent Schrödinger Equations (TDSE) in strong and high frequency fields. It is well known that short and intense laser-molecule interactions lead to complex nonlinear phenomena that necessitate an accurate numerical approximation of the TDSE. In particular, intense electric fields rapidly delocalize molecule wavefunctions so that their support can vary a lot during the interaction. In this kind of physical configurations, mesh adaption is a usual compromise between precision and computational efficiency. We then propose to explore numerically mesh adaptation for TDSE using a multiresolution analysis coupled with a Crank-Nicolson-like scheme. We then discuss the efficiency and the drawbacks of such a strategy. |
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Keywords: | Time-dependent Schrö dinger equations Finite difference methods Mesh adaptation Laser-molecule interactions |
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