jaxrts.hnc_potentials.KlimontovichKraeftPotential

class jaxrts.hnc_potentials.KlimontovichKraeftPotential(include_electrons: Literal['off', 'SpinAveraged', 'SpinSeparated'] = 'off')[source]

Quantum diffraction potential suggested by Klimontovich and Kraeft. See [Schwarz et al., 2007] Eqn (15) and [Wünsch, 2011] Eqn. (4.43).

Note

This potential is only defined for electron-ion interactions. However, for the output to have the same shape as other potentials, we calculate it for all inputs. The most sensible treatment is to only use the off-diagonal entries for the ei potential.

Methods

T(plasma_state)

The mass_weighted temperature average of a pair, according to [Schwarz et al., 2007].

__init__([include_electrons])

alpha(plasma_state)

check(plasma_state)

Test if the HNCPotential is applicable to the PlasmaState.

citation([style, comment])

Return bibliographic information for the Model used.

full_k(plasma_state, k)

full_r(plasma_state, r)

lambda_ab(plasma_state)

long_k(plasma_state, k)

The Foutier transform of short_k().

long_r(plasma_state, r)

This is the long-range part of full_r():

mu(plasma_state)

The geometric mean of two masses (or reciprocal sum)

prepare(plasma_state, key)

q2(plasma_state)

This is \(q^2\)!

r_cut(plasma_state)

This casts jaxrts.PlasmaState.ion_core_radius in the form required to be used with an :py:class:~.HNCPotential`.

short_k(plasma_state, k)

The Fourier transform of short_r().

short_r(plasma_state, r)

This is the short-range part of full_r():

Attributes

allowed_keys

A list of keys where this Potential is adequate for.

cite_keys

A list of bibtex keys.

include_electrons

If "SpinAveraged", the electrons are added as the n+1th ion species to the potential.

Examples using jaxrts.hnc_potentials.KlimontovichKraeftPotential

HNC: Electron-Ion Potentials

HNC: Electron-Ion Potentials

Compare HNC Calculations to Gregori.2006

Compare HNC Calculations to Gregori.2006

Static structure factor of the electron-ion system

Static structure factor of the electron-ion system