CollisionDB: DataSet D2225

$e^{-} +^{2} H_{2} X^{1} Σ_{g}^{+} v = 1 \to^{2} H_{2} B^{'}^{1} Σ_{u}^{+} + e^{-}$

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

Method	MCCC: Molecular convergent close-coupling
Columns	E /eV sigma /cm²
Threshold	14.3888 eV
Uncertainty	10 %
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 (X¹Σ_g⁺) ", Atomic Data and Nuclear Data Tables 139, 101403 (2021). [10.1016/j.adt.2020.101403]
Data	Download

Fitted Data

Fit Function
Details

σ (x) = | \frac{x - 1}{x} \cdot (\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}}) |

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	4.888e-01
A2	4.283e-01
A3	-2.064e+00
A4	4.044e+00
A5	-3.386e+00
A6	9.755e-01

x-range

–

DataSet D2225

e−+2H2X1Σg+v=1→2H2B′1Σu++e−

Fitted Data

$e^{-} +^{2} H_{2} X^{1} Σ_{g}^{+} v = 1 \to^{2} H_{2} B^{'}^{1} Σ_{u}^{+} + e^{-}$