DataSet D2159

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

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
Threshold14.3887 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		 \[\sigma (x) = \Bigg| \frac{x - 1}{x} \cdot \left(\frac{A_1^2}{x} + \frac{A_2}{x^2} + \frac{A_3}{x^3} + \frac{A_4}{x^4} + \frac{A_5}{x^5}\right)\Bigg|\]
Python 
def singlet_triplet_H2(x, A1, A2, A3, A4, A5):
    """
    This function calculates the vibrational and dissociative excitation cross sections 
    (in a.u.) of H2 isotopologues from the ground electronic state X to triplet excited 
    states above the 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 = ((x-1)/x)*(A1**2/x + A2/x**2 + A3/x**3 + A4/x**4 + A5/x**5)
    return np.absolute(sigma)
Fit Coefficients 
A1
-5.046e-06
A2
 8.808e-04
A3
-4.153e-03
A4
 3.769e-02
A5
-2.427e-02
x-range –