An efficient algorithm based on splitting for the time integration of the Schrödinger equation
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Publication:2374876
DOI10.1016/J.JCP.2015.09.047zbMATH Open1349.65393arXiv1502.06401OpenAlexW1882722114MaRDI QIDQ2374876FDOQ2374876
Authors: Sergio Blanes, Fernando Casas, Ander Murua 
Publication date: 5 December 2016
Published in: Journal of Computational Physics (Search for Journal in Brave)
Abstract: We present a practical algorithm based on symplectic splitting methods to integrate numerically in time the Schr"odinger equation. When discretized in space, the Schr"odinger equation can be recast as a classical Hamiltonian system corresponding to a generalized high-dimensional separable harmonic oscillator. The particular structure of this system combined with previously obtained stability and error analyses allows us to construct a set of highly efficient symplectic integrators with sharp error bounds and optimized for different tolerances and time integration intervals. They can be considered, in this setting, as polynomial approximations to the matrix exponential in a similar way as methods based on Chebyshev and Taylor polynomials. The theoretical analysis, supported by numerical experiments, indicates that the new methods are more efficient than schemes based on Chebyshev polynomials for all tolerances and time intervals. The algorithm we present incorporates the new splitting methods and automatically selects the most efficient scheme given a tolerance, a time integration interval and an estimate on the spectral radius of the Hamiltonian.
Full work available at URL: https://arxiv.org/abs/1502.06401
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Cited In (20)
- A FOURTH ORDER REAL-SPACE ALGORITHM FOR SOLVING LOCAL SCHRÖDINGER EQUATIONS
- Generalisation of splitting methods based on modified potentials to nonlinear evolution equations of parabolic and Schrödinger type
- An efficient split-step and implicit pure mesh-free method for the 2D/3D nonlinear Gross-Pitaevskii equations
- High-order IMEX-spectral schemes for computing the dynamics of systems of nonlinear Schrödinger/Gross-Pitaevskii equations
- Computing the matrix sine and cosine simultaneously with a reduced number of products
- Symbolic algorithm for factorization of the evolution operator of the time-dependent Schrödinger equation
- Splitting methods for differential equations
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- Adaptive time propagation for time-dependent Schrödinger equations
- Splitting methods for the time-dependent Schrödinger equation
- Efficient Splitting Methods Based on Modified Potentials: Numerical Integration of Linear Parabolic Problems and Imaginary Time Propagation of the Schrödinger Equation
- Efficient approximation algorithm for the Schrödinger–Possion system
- Exponential operator for the Schrödinger equation in stretched coordinates
- Numerical solution of the 3D time dependent Schrödinger equation in spherical coordinates: Spectral basis and effects of split-operator technique
- An efficient algorithm to compute the exponential of skew-Hermitian matrices for the time integration of the Schrödinger equation
- A time- and spaceadaptive algorithm for the linear time-dependent Schrödinger equation
- A fast and accurate coupled meshless algorithm for the 2D/3D Gross-Pitaevskii equations on two GPUs
- High order efficient splittings for the semiclassical time-dependent Schrödinger equation
- Error analysis of splitting methods for the time dependent Schrödinger equation
- Computer Algebra in Scientific Computing
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