Be able to write down the total Hamiltonian for any molecule.
Be able to evaluate the energy of a trial wavefunction (a guess) in any Hamiltonian.
Be able to write down the electronic Hamiltonian of any molecule in the Born-Oppenheimer approximation.
By neglecting the electron-electron interactions in the electronic Hamiltonian, you should be able to solve it by the separation of variables and construct the molecular orbital Hamiltonian.
You should know how to solve the molecular orbital Hamiltonian using a Linear Combination of Atomic Orbitals (LCAO) and be able to say how these orbitals would be filled by teh electrons of the molecule.
Explain what the Roothaan equations are.
Be able to construct a multi-electron molecular wavefunction as an antisymmetrized product of molecular orbitals, be able to explain the exchange energy.
Be able to use describe how the multi-electron wave function can be used to calculate a bond potential.
Be able to determine the vibrational states of a diatomic molecule from the bond potential.
Be able to calculate the rotational states of diatomic molecules from the bond potential.
Be able to determine the number of translational states, rotational states, and vibrational states of a molecule.
Be able to explain which photon energies a molecule can absorb.
Be able to explain how bond lengths and bond angles can be calculated and how to determine if a chemical reaction is endothermic or exothermic
Be able to sketch a bond potential (such as a Morse potential or a Lennard-Jones potential) given the bond length and dissociation energy
Be able to define: single bond, double bond, triple bond, polar bond, covalent bond, π-bond, σ-bond, metallic bond, ionic bond, Van der Waals bond, valence bond theory, molecular orbital theory, sp orbital, sp² orbital, sp³ orbital, bonding orbital, antibonding orbital, singlet state, triplet state.
