| Process | EDE: Dissociative Excitation |
| Data type | cross section | uploaded on 2022-05-26 |
| Comment | MCCC calculations of vibrationally-resolved electron-impact dissociative excitation of D2, adiabatic nuclei calculations performed with the spheroidal MCCC(210) model |
| Method | MCCC: Molecular convergent close-coupling |
| Columns |
|
| Threshold | 0.852295 eV |
| Uncertainty | 10 % |
| Data | Download |
| Fit Function Details |
\[\sigma (x) = A_1 \left( x - 1\right)^{-A_2^2} \exp\left[-\frac{A_3}{(x-1)^{A_4}} \right]\] | ||||||||
| Python | def EDE_b3Su(x, A1, A2, A3, A4):
"""
This function calculates the dissociative excitation cross sections (in a.u.)
of H2 isotopologues from the ground electronic state X to b(3SIGMA+u) state.
param x: requested electron-impact energy in threshold units
type x: float, np.ndarray
param Ai: fit coefficients
type Ai: float
"""
sigma = A1* np.power((x-1),-A2**2) * np.exp(-A3/(x-1)**A4)
return sigma |
||||||||
| Fit Coefficients |
|
||||||||
| x-range | – |