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ampsci
High-precision calculations for one- and two-valence atomic systems
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Parameters used for Adams-Moulton bound-state solver.
Variables | |
| constexpr std::size_t | K_Adams = 7 |
| K (# steps) for Adams-Moulton method (between 1 and 12). | |
| constexpr double | cALR = 550.0 |
| Parameter to determine 'asymptotically large r'. | |
| constexpr int | max_its = 99 |
| Max # attempts at converging bound-state energy. | |
| constexpr double | lfrac_de = 0.12 |
| Fractional size of 'large' energy update steps (~12%). | |
| constexpr int | d_ctp = 4 |
| Number of grid points either side of the classical turning point. | |
| constexpr int | nx = 15 |
| Order of coefficients in the large-r asymptotic expansion. | |
| constexpr double | nx_eps = 1.e-12 |
| Convergence threshold for the asymptotic expansion. | |
| constexpr auto | weight |
| Weighting function for meshing inward/outward solutions at the turning point. Must be positive; index i may be negative [ctp - d_ctp]. | |
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constexpr |
K (# steps) for Adams-Moulton method (between 1 and 12).
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constexpr |
Parameter to determine 'asymptotically large r'.
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constexpr |
Max # attempts at converging bound-state energy.
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constexpr |
Fractional size of 'large' energy update steps (~12%).
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constexpr |
Number of grid points either side of the classical turning point.
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constexpr |
Order of coefficients in the large-r asymptotic expansion.
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constexpr |
Convergence threshold for the asymptotic expansion.
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constexpr |
Weighting function for meshing inward/outward solutions at the turning point. Must be positive; index i may be negative [ctp - d_ctp].