singlet_singlet_H2
Fit Function | \[\sigma(x) = \Bigg| \frac{x - 1}{x } \cdot \left(\frac{A_1^2}{x} \ln(x) + \frac{A_2}{x} + \frac{A_3}{x^2} + \frac{A_4}{x^3} + \frac{A_5}{x^4} + \frac{A_6}{x^5}\right)\Bigg|\] |
Comments | Python code requires NumPy imported as `np`. |
Arguments |
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Return values |
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Code | 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) |