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.