Plot of Fermi orbitals and Fermi Lowdin orbitals

There has been questions about how different are Fermi orbitals (FO) from Fermi Lowdin orbitals (FLO).

In this short article, it is presented CuO- orbitals for FOs and FLOs, as well as its Fermi orbital descriptors (FODs).

CuO- has been energy optimized through FOD geometry optimization and orbitals have been plotted with isovalue 0.005 in jmol.

Energy optimized FODs of CuO-.

Orbital 1 FLO and FO

Orbital 2 FLO and FO

Orbital 3 FLO and FO

Orbital 4 FLO and FO

Orbital 5 FLO and FO

Orbital 6 FLO and FO

Orbital 7 FLO and FO

Orbital 8 FLO and FO

Orbital 9 FLO and FO

Orbital 10 FLO and FO

Orbital 11 FLO and FO

Orbital 12 FLO and FO

Orbital 13 FLO and FO

Orbital 14 FLO and FO

Orbital 15 FLO and FO

Orbital 16 FLO and FO

Orbital 17 FLO and FO

Orbital 18 FLO and FO

Orbital 19 FLO and FO