DataSet D2200

\[\mathrm{e}^- + {}^{2}\mathrm{H}_{2} \; X{}^{1}\Sigma^+_{g} \; v=0 \rightarrow {}^{2}\mathrm{H}_{2} \; b{}^{3}\Sigma^+_{u} + \mathrm{e}^-\]

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
MethodMCCC: Molecular convergent close-coupling
Columns
  1. E /eV
  2. sigma /cm2
Threshold4.5557 eV
Uncertainty10 %
Ref
  • B9: L. H. Scarlett, D. V. Fursa, M. C. Zammit, I. Bray, Y. Ralchenko, "Complete collision data set for electrons scattering on molecular hydrogen and its isotopologues: II. Fully vibrationally-resolved electronic excitation of the isotopologues of H2 (X1Σg+) ", Atomic Data and Nuclear Data Tables 139, 101403 (2021). [10.1016/j.adt.2020.101403]
DataDownload

Fitted Data

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 
A1
 8.903e+00
A2
 1.937e+00
A3
 4.544e+00
A4
 3.509e+00
x-range –