DataSet D2196

\[\mathrm{e}^- + {}^{2}\mathrm{H}_{2} \; X{}^{1}\Sigma^+_{g} \; v=6 \rightarrow {}^{2}\mathrm{H}_{2} \; B{}^{1}\Sigma^+_{u} + \mathrm{e}^-\]

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
Threshold12.7502 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		 \[\sigma(x) = \Bigg| \frac{x - 1}{x } \cdot \left(\frac{A_1^2}{x} \ln(x) + \frac{A_2}{x} + \frac{A_3}{x^2} + \frac{A_4}{x^3} + \frac{A_5}{x^4} + \frac{A_6}{x^5}\right)\Bigg|\]
Python 
def singlet_singlet_H2(x, A1, A2, A3, A4, A5, A6):
    """
    This function calculates the vibrational and dissociative excitation 
     cross sections  (in a.u.) of H2 isotopologues from the ground electronic 
     state X to singlet excited states.

    param x: requested electron-impact energy in threshold units
    type x: float, np.ndarray
    param Ai: fit coefficients
    type Ai: float
    """
    sigma = ((x-1)/x)*(A1**2 * np.log(x)/x + A2/x + A3/x**2 + A4/x**3 + 
                     A5/x**4 + A6/x**5)
    return np.absolute(sigma)
Fit Coefficients 
A1
 7.367e-01
A2
 7.779e-01
A3
-4.919e+00
A4
 1.144e+01
A5
-1.151e+01
A6
 4.188e+00
x-range –