https://doi.org/10.1351/goldbook.LT07067
When the separation between the highest occupied and the lowest unoccupied molecular orbitals is not large, two alternative electronic states may be considered. The state with two electrons paired up in the HOMO is called a @LT06788@ state. The @LT06788@ state is the @G02704@ when the one-electron energy needed to promote an electron to the LUMO is larger than the @C01365@ and @ET07034@ energies required to pair up two electrons in the HOMO.