5.19.2. potentials.coulomb_lr

eminus.potentials.coulomb_lr(scf, alpha=100, **kwargs)[source]

Long-range all-electron Coulomb potential.

Reference: J. Comput. Phys. 117, 171.

Parameters:

scf – SCF object.

Keyword Arguments:
  • alpha – Convergence parameter.

  • **kwargs – Throwaway arguments.

Returns:

Long-range Coulomb potential in real-space.