rixs_utils

edrixs.rixs_utils.scattering_mat(eval_i, eval_n, trans_mat_abs, trans_mat_emi, omega_inc, gamma_n)

Calculate X-ray scattering magnitude.

\[F^{ab}_{fi} = \sum_{n}\frac{<f|T_{a}|n><n|T_{b}|i>}{\omega_{in} - E_{n} + E_{i} + i\Gamma_{n}},\]

where, \(T_{a}\) and \(T_{b}\) are components of transition operators( \(a,b=x,y,z\)).

Parameters:

eval_i: 1d float array

Eigenvalues of the initial configuration without core-hole, \(E_i\).

eval_n: 1d float array

Eigenvalues of the intermediate configuration with core-hole, \(E_n\).

trans_mat_abs: 3d complex array

The transition operator for absorption process, \(<n|T_{b}|i>\).

trans_mat_emi: 3d complex array

The transition operator for emission process, \(<f|T_{a}|n>\).

omega_inc: float

The energy of incident photon, \(\omega_{in}\).

gamma_n: float

The broadening of the core-hole (eV), \(\Gamma_{n}\).

Returns:

Ffi: 4d complex array

The calculated scattering magnitude, \(F^{ab}_{fi}\).