Multiresolution of the one dimensional free-particle propagator. Part 2: Implementation

A novel method to integrate the time-dependent Schrödinger equation within the framework of multiresolution analysis is presented. The method is based on symplectic splitting algorithms to separate the kinetic and potential parts of the corresponding propagator. The semigroup associated with the free-particle Schrödinger operator is represented in a multiwavelet basis. The propagator is effectively discretised with a contour deformation technique, which overcomes the challenges presented by previous discretisation methods. The discretised operator is then employed in simple numerical simulations to test the validity of the implementation and to benchmark its precision.

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Publication Details

Journal
Computer Physics Communications
Published
2024-11-19
DOI
https://doi.org/10.1016/j.cpc.2024.109438
Citations
1
Primary Topic
Particle Accelerators and Free-Electron Lasers
Type
article
Field-Weighted Citation Impact
0.21
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article

Multiresolution of the one dimensional free-particle propagator. Part 2: Implementation

Evgueni Dinvay
1 citations
Computer Physics Communications
Particle Accelerators and Free-Electron Lasers
0.21
article

Multiresolution of the one dimensional free-particle propagator. Part 2: Implementation

Evgueni Dinvay
article en
1 citations

Abstract

A novel method to integrate the time-dependent Schrödinger equation within the framework of multiresolution analysis is presented. The method is based on symplectic splitting algorithms to separate the kinetic and potential parts of the corresponding propagator. The semigroup associated with the free-particle Schrödinger operator is represented in a multiwavelet basis. The propagator is effectively discretised with a contour deformation technique, which overcomes the challenges presented by previous discretisation methods. The discretised operator is then employed in simple numerical simulations to test the validity of the implementation and to benchmark its precision.

Computer Physics CommunicationsVol. 308
UiT The Arctic University of Norway (NO)
Openalex Percentile: Top 46%
Particle Accelerators and Free-Electron Lasers
0.21
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Multiresolution of the one dimensional free-particle propagator. Part 2: Implementation — Evgueni Dinvay · Computer Physics Communications (2024) | TGRS Research Map | TGRS