An efficient algorithm to compute the exponential of skew-Hermitian matrices for the time integration of the Schrödinger equation

DOI10.1016/J.MATCOM.2021.12.002MaRDI QIDQ2076763zbMATH OpenOpenAlexWikidataFDO

Authors P. Bader, Sergio Blanes, Fernando Casas, Muaz Seydaoğlu

Publication date 22 February 2022

Published in Mathematics and Computers in Simulation (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/2103.10132

zbMATH Keywords

matrix polynomialsmatrix exponentialmatrix cosinematrix sineSchrödinger equation

Mathematics Subject Classification ID

Numerical analysis (65-XX) Quantum theory (81-XX)

Recommendations

• An efficient algorithm based on splitting for the time integration of the Schrödinger equation
• The efficient computation of certain determinants arising in the treatment of Schrödinger's equations
• An accurate approximation of exponential integrators for the Schrödinger equation
• On the finite section method for computing exponentials of doubly-infinite skew-Hermitian matrices
• A Fast Matrix-free Algorithm for Spectral Approximations to the Schrödinger Equation
• An explicit Hermite-Taylor method for the Schrödinger equation
• Efficiency of exponential time differencing schemes for nonlinear Schrödinger equations
• Exponentially-fitted multiderivative methods for the numerical solution of the Schrödinger equation
• scientific article; zbMATH DE number 2152754
• Exponentially fitted symplectic methods for the numerical integration of the Schrödinger equation

Cites work

• A simple estimation for the spectral radius of (block) H-matrices
• An efficient algorithm based on splitting for the time integration of the Schrödinger equation
• Approximation theory and approximation practice
• Boosting the computation of the matrix exponential
• Computing matrix functions
• Computing the matrix sine and cosine simultaneously with a reduced number of products
• Double Stern-Gerlach Experiment and Related Collision Phenomena
• Efficient evaluation of matrix polynomials
• Expokit
• Exponential integrators
• Fourth- and sixth-order commutator-free Magnus integrators for linear and nonlinear dynamical systems
• From quantum to classical molecular dynamics: Reduced models and numerical analysis.
• Functions of Matrices
• High order optimized geometric integrators for linear differential equations
• High-order commutator-free exponential time-propagation of driven quantum systems
• High-order commutator-free quasi-Magnus exponential integrators for non-autonomous~linear evolution equations
• Matrix exponentials and parallel prefix computation in a quantum control problem
• NIST handbook of mathematical functions
• New Algorithms for Computing the Matrix Sine and Cosine Separately or Simultaneously
• Numerical Methods for Special Functions
• Physical realization of coupled Hilbert-space mirrors for quantum-state engineering
• The Cayley transform in the numerical solution of unitary differential systems
• The Scaling and Squaring Method for the Matrix Exponential Revisited
• Unitary Integrators and Applications to Continuous Orthonormalization Techniques

Cited in

(3)

• Magnus integrators for linear and quasilinear delay differential equations
• Computational graphs for matrix functions
• An efficient algorithm to compute the exponential of skew-Hermitian matrices for the time integration of the Schr\"odinger equation

Describes a project that uses

Uses Software

• MATLAB expm
• Expokit
• DLMF

This page was built for publication: An efficient algorithm to compute the exponential of skew-Hermitian matrices for the time integration of the Schrödinger equation

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q2076763)