The use of rich and suter diagrams to explain the electron configurations of transition elements

Thirteen-band Tight-binding Model for the MoS2 Monolayer

“…Including the 5s and 5 p Mo orbitals, and possibly the 3d S orbitals in both the DFT and the tight-binding descriptions should give better account of the conduction band. This claim is motivated by a previous study on the electronic structure of the Mo atom that places the 5s level below the 4d level 32 . The interatomic couplings can also be extended to the second nearest neighbors.…”