Research Data for
Converging on Bound States in Coupled-Channel Calculations
by C. Ruth Le Sueur, James F. E. Croft and Jeremy M. Hutson
21 June 2026

Data for all figures were generated using the BOUND package available at
https://github.com/molscat/molscat.git

Data for figures 1 and 2 were generated using the executable named bound-Ar_CH4
which includes an implementation of the BKPS potential (Buck et al.):

Figure 1 uses the results in Ar-CH4-node-positions-jmax2.txt, Ar-CH4-pole-positions-jmax2.txt, Ar-CH4-evals-and-node-counts-jmax2.txt, Ar-CH4-state8.txt
Input files are provided in fig1.a.input, fig1.b.input
and the corresponding main output files in fig1.a.output, fig1.b.output
with summary output file in fig1.b.summary

Figure 2 uses the results in Ar-CH4-node-positions-jmax6.txt, Ar-CH4-pole-positions-jmax6.txt, Ar-CH4-evals-and-node-counts-jmax6.txt
Input files are provided in fig2.a.input, fig2.b.input
and the corresponding main output files in fig2.a.output, fig2.b.output
with summary output file in fig2.b.summary

Data for figures 3 and 4 were generated using the executable bound-basic:

Figure 3 uses the results in HO-Rmatch-0.35.txt, HO-Rmatch-1.7.txt, HO-Rmatch-3.4.txt
Input files are provided in fig3.0.35.input, fig3.1.7.input, fig3.3.4.input
and the corresponding main output files in fig3.0.35.output, fig3.1.7.output, fig3.3.4.output

Figure 4 uses the results in HO-Rmatch-0.1.txt, HO-Rmatch-0.2.txt, HO-Rmatch-1.0.txt
Input files are provided in fig4.0.1.input, fig4.0.2.input, fig4.1.0.input
and the corresponding main output file in fig4.0.1.output, fig4.0.2.output, fig4.1.0.output
