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Table C.1
Uncertainties associated with each convergence parameter in the quantum scattering calculations. The values with slashes in the “Basis set size” line correspond to the case of collisions with para-H2 and ortho-H2, respectively. See the main text for details.
Parameter | Value | Reference value | Maximum relative uncertainty (%) | |||||
---|---|---|---|---|---|---|---|---|
γ0 | δ0 | γ2 | δ2 | Re(vopt) | Im(vopt) | |||
Rmax | 100 a0 | 200 a0 | 0.01 | 1 | 0.01 | 1 | 0.001 | 0.5 |
Nsteps | 200/100/50 | 500 | 0.4 | 1 | 0.5 | 3 | 0.1 | 5 |
(![]() |
(4, 4, 8) | (6, 6, 12) | 0.01 | 0.1 | 0.02 | 1 | 0.01 | 0.2 |
Basis set size (![]() |
see text | (6, 6)/(7, 7) | 0.01 | 0.2 | 0.01 | 0.2 | 0.01 | 0.2 |
Total | 0.4 | 1.4 | 0.5 | 3.5 | 0.1 | 5 |
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