Question

Answer the first question. I bolded it.

2. A diatomic molecule is described by the following Hamiltonian matrix elements and overlap integrals:

H₁₁=H₂₂= -5eV

H₂₁=H₁₂= -1eV

S₁₁=S₂₂ =1

S₁₂=S₂₁= 0.1

Calculate the eigenenergies of the bonding and antibonding states. (8 points) State clearly which energy belongs to the bonding state and which energy belongs to the antibonding state. (2 points) If each partner has 1 valence electron, what is the HOMO-LUMO gap of the molecule? (2 points)

Answer 1