5.37.2. xc.gga_x_chachiyo.gga_x_chachiyo_spin

eminus.xc.gga_x_chachiyo.gga_x_chachiyo_spin(n, zeta, dn_spin=None, **kwargs)[source]

Chachiyo parametrization of the exchange functional (spin-polarized).

Corresponds to the functional with the label GGA_X_CHACHIYO and ID 298 in Libxc.

Reference: Molecules 25, 3485.

Parameters:

  • n – Real-space electronic density.

  • zeta – Relative spin polarization.

Keyword Arguments:

  • dn_spin – Real-space gradient of densities per spin channel.

  • **kwargs – Throwaway arguments.

Returns:

Chachiyo exchange energy density, potential, and vsigma.