PreprintCC BY 4.0arXiv
Converging on bound states in coupled-channel calculations
Abstract
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 Rmatch, where the matching matrix is defined; coupled-channel methods are most efficient if Rmatch 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.
Related
- A tutorial on quantum scattering theory and coupled-channel calculations of bimolecular collisions
- Excited-state Properties Beyond the Excitation Energy from Orbital-Optimized Density Functional Calculations I: Dipole Moments of Rydberg States
- Anharmonic Vibrational Structure and Bound States of the He-CO2 van der Waals Complex
- Recent advances in terahertz-based bound states in the continuum metasurfaces for 6G communications and MedTech
- Energy Exchange and Coherent Behavior of Monolayer TMD Polaritonic Systems in All-Dielectric Metasurfaces Supporting Quasi-Bound States in the Continuum
BibTeX
@misc{sueur2026converging,
title = {{Converging on bound states in coupled-channel calculations}},
author = {C. Ruth Le Sueur and James F. E. Croft and Jeremy M. Hutson},
howpublished = {arXiv},
year = {2026},
month = sep,
doi = {10.48550/arxiv.2606.26069},
eprint = {2606.26069},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2606.26069},
note = {CC BY 4.0},
}
RIS
TY - UNPB
TI - Converging on bound states in coupled-channel calculations
AU - C. Ruth Le Sueur
AU - James F. E. Croft
AU - Jeremy M. Hutson
PY - 2026
DA - 2026/09/03
PB - arXiv
DO - 10.48550/arxiv.2606.26069
UR - https://arxiv.org/abs/2606.26069
AB - 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_match, where the matching matrix is defined; coupled-channel methods are most efficient if R_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.
ER -