pseudopotentsiaalidest
Pseudopotential or pseudopotentsiaal is a concept used in physics and chemistry, particularly in computational materials science. It arises from the observation that the behavior of valence electrons in a solid is significantly different from that of core electrons. Core electrons are tightly bound to the atomic nucleus and their wave functions are strongly peaked near the nucleus. In contrast, valence electrons are responsible for chemical bonding and are found in the outer regions of atoms and molecules.
The core idea of a pseudopotential is to replace the strong attractive potential of the nucleus and
This simplification has several advantages. Firstly, it reduces the number of electrons that need to be considered