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Converging on bound states in coupled-channel calculations [dataset] Open Access

We develop a robust algorithm for locating bound states in coupled-channel calculations. Bound states exist at energies where an individual eigenvalue of a log-derivative or ratio matching matrix passes through zero. We describe an algorithm to identify the required eigenvalue of the matching matrix over the full range of energy where it exists. This allows much simpler programming than previous methods. We also consider the choice of the matching distance $R_\textrm{match}$, where the matching matrix is defined; coupled-channel methods are most efficient if $R_\textrm{match}$ is chosen to be in the classically allowed region for all channels that support bound states of interest, but not very close to a node in the wavefunction.

Descriptions

Resource type
Dataset
Contributors
Creator: Hutson, Jeremy M 1
Contact person: Hutson, Jeremy M 1
Le Sueur, C. Ruth
Croft, James F. E.
1 Durham University
Funder
Engineering and Physical Sciences Research Council
Research methods
Other description
Details in file README.txt. Data for all figures were generated using the BOUND package available at:  https://github.com/molscat/molscat.git
Keyword
Bound states
Coupled-channel
Van der Waals complexes
Ultracold molecules
Subject
Bound states (Quantum mechanics)
Ultracold molecules
Location
Language
Cited in
Identifier
ark:/32150/r1jd472w556
doi:10.15128/r1jd472w556
Rights
Creative Commons Attribution 4.0 International (CC BY)

Publisher
Durham University
Date Created

File Details

Depositor
J.M. Hutson
Date Uploaded
Date Modified
25 June 2026, 09:06:36
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Characterization
File format: zip (ZIP Format)
Mime type: application/zip
File size: 427600
Last modified: 2026:06:24 15:18:14+01:00
Filename: Converging-on-bound-states.zip
Original checksum: c813c55f5158746b91be23463717bf1e
Activity of users you follow
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User N. Syrotiuk has updated Converging on bound states in coupled-channel calculations [dataset] 2 days ago
User J.M. Hutson has updated Converging on bound states in coupled-channel calculations [dataset] 3 days ago
User J.M. Hutson has updated Converging on bound states in coupled-channel calculations (research data) 3 days ago
User J.M. Hutson has updated Converging on bound states in coupled-channel calculations 3 days ago