Pseudopotential
From Wikipedia, the free encyclopedia
In quantum mechanics, the pseudopotential formalism is an attempt to replace the complicated effects of the motion of the core (i.e. non-valence) electrons of an atom or ion and its nucleus with an effective potential, or pseudopotential, so that the Schrödinger equation contains a modified potential term instead of e.g. the Coulombic potential term normally found in the Schrödinger equation. By construction of this pseudopotential, the valence wavefunction generated is also guaranteed to be orthogonal to all the core states.
Two kinds of PPs are used, Norm-conserving PP and Ultrasoft PP.
 |
This quantum mechanics-related article is a stub. You can help Wikipedia by expanding it. |
