Solving Schrödinger equation in semiclassical regime with highly oscillatory time-dependent potentials
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Publication:2311477
highly oscillatory potentialsMagnus expansionSchrödinger equationsemiclassical regimesymmetric Zassenhaus splittingstime dependent potentials
PDEs in connection with quantum mechanics (35Q40) Spectral, collocation and related methods for initial value and initial-boundary value problems involving PDEs (65M70) Computational methods for problems pertaining to quantum theory (81-08) Semiclassical techniques, including WKB and Maslov methods applied to problems in quantum theory (81Q20)
Abstract: Schr"odinger equations with time-dependent potentials are of central importance in quantum physics and theoretical chemistry, where they aid in the simulation and design of systems and processes at atomic scales. Numerical approximation of these equations is particularly difficult in the semiclassical regime because of the highly oscillatory nature of solution. Highly oscillatory potentials such as lasers compound these difficulties even further. Altogether, these effects render a large number of standard numerical methods less effective in this setting. In this paper we will develop a class of high-order exponential splitting schemes that are able to overcome these challenges by combining the advantages of integral-preserving simplified-commutator Magnus expansions with those of symmetric Zassenhaus splittings. This allows us to use large time steps in our schemes even in the presence of highly oscillatory potentials and solutions.
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Cited in
(16)- A time-oscillating Hartree-type Schrödinger equation
- Improved regula falsi method for solving the Schrödinger equation with a piecewise constant potential
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