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

Orbital1 FLO

Orbital1 FO

Orbital 2 FLO and FO

Orbital2 FLO

Orbital2 FO

Orbital 3 FLO and FO

Orbital3 FLO

Orbital3 FO

Orbital 4 FLO and FO

Orbital4 FLO

Orbital4 FO

Orbital 5 FLO and FO

Orbital5 FLO

Orbital5 FO

Orbital 6 FLO and FO

Orbital6 FLO

Orbital6 FO

Orbital 7 FLO and FO

Orbital7 FLO

Orbital7 FO

Orbital 8 FLO and FO

Orbital8 FLO

Orbital8 FO

Orbital 9 FLO and FO

Orbital9 FLO

Orbital9 FO

Orbital 10 FLO and FO

Orbital10 FLO

Orbital10 FO

Orbital 11 FLO and FO

Orbital11 FLO

Orbital11 FO

Orbital 12 FLO and FO

Orbital12 FLO

Orbital12 FO

Orbital 13 FLO and FO

Orbital13 FLO

Orbital13 FO

Orbital 14 FLO and FO

Orbital14 FLO

Orbital14 FO

Orbital 15 FLO and FO

Orbital15 FLO

Orbital15 FO

Orbital 16 FLO and FO

Orbital16 FLO

Orbital16 FO

Orbital 17 FLO and FO

Orbital17 FLO

Orbital17 FO

Orbital 18 FLO and FO

Orbital18 FLO

Orbital18 FO

Orbital 19 FLO and FO

Orbital19 FLO

Orbital19 FO

Comments

sromero (2021-11-22): CuO- FLOs

CuO- FLOs FOs