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

DOI10.1016/J.MATCOM.2021.12.002OpenAlexW3136171025WikidataQ114149929 ScholiaQ114149929MaRDI QIDQ2076763FDOQ2076763

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

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zbMATH Keywords

matrix polynomialsmatrix exponentialmatrix cosinematrix sineSchrödinger equation

Mathematics Subject Classification ID

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

Cites Work

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

Cited In (3)

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

Uses Software

• Digital Library of Mathematical Functions
• Expokit
• MATLAB expm

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