jaxrts.static_structure_factors

Module handeling the calculation of static structure factors. Note that this file does not include the implementation of the hypernetted chain scheme, which can be found in jaxrts.hypernetted_chain.

Functions

S_ee_AD(k, T_e, T_i, n_e, m_i, Z_f)

The static electron-electron structure factor, in the approach by Arkhipov and Davletov [Arkhipov and Davletov, 1998], as presented by [Gregori et al., 2003] in equation (7).

S_ee_CHS(k, T_e, T_i, n_e, m_i, Z_f, n_i, lfc)

The electron electron static structure factors from [Gregori et al., 2007].

S_ei_AD(k, T_e, T_i, n_e, m_i, Z_f)

The static electron-ion structure factor, in the approach by Arkhipov and Davletov [Arkhipov and Davletov, 1998], as presented by [Gregori et al., 2003] in equation (7).

S_ei_CHS(k, T_e, T_i, n_e, m_i, Z_f, n_i, lfc)

The electron ion static structure factors from [Gregori et al., 2007].

S_ii_AD(k, T_e, T_i, n_e, m_i, Z_f)

The static ion-ion structure factor, in the approach by Arkhipov and Davletov [Arkhipov and Davletov, 1998], as presented by [Gregori et al., 2003] in equation (7).

S_ii_CHS(k, T_e, T_i, n_e, m_i, Z_f, n_i, lfc)

The ion ion static structure factors from [Gregori et al., 2007].

T_Debye_Bohm_Staver(T_e, n_e, m_i, Z_f)

Bohm Staver relation, as presented in eqn (3) of [Gregori et al., 2006a].

T_cf_Greg(T_e, n_e)

The effective temperature to be inserted in the approach by Arkhipov and Davletov, see [Arkhipov and Davletov, 1998] according to [Gregori et al., 2003].

T_i_eff_Greg(T_i, T_D)

The effective ion temperature as it is proposed by [Gregori et al., 2006a].

debyeWallerFactor(k, atomic_mass, ...)

Reduction of an XRD peak due to an increase in temperature (without taking to account possible phase transitions), according to [Murphy et al., 2008].

g_ee_ABD(r, T_e, T_i, n_e, m_i, Z_f)

The radial electron-electron distribution function, in the approach by Arkhipov, Baimbetov and Davletov [Arkhipov et al., 2000] (Eqn.

g_ei_ABD(r, T_e, T_i, n_e, m_i, Z_f)

The radial electron-ion distribution function, in the approach by Arkhipov, Baimbetov and Davletov [Arkhipov et al., 2000] (Eqn.

g_ii_ABD(r, T_e, T_i, n_e, m_i, Z_f)

The radial ion-ion distribution function, in the approach by Arkhipov, Baimbetov and Davletov [Arkhipov et al., 2000] (Eqn.