513.001 Molecular and Solid State Physics
Molecular orbitals of H2
(a) Write down the molecular orbital Hamiltonian for H2. Explain the significance of the different terms in the Hamiltonian.
(b) What do the molecular orbitals (approximately) look like?
(c) Which molecular orbitals are normally occupied?
(d) How would you use the molecular orbitals to calculate the bond length?