Interpretations: Bringing it all together

The SCF method of solving the Hartree-Fock equations in order to obtain the best, from a variational standpoint, single Slater determinant approximation of the electronic wave function has been developed from first principles. This development was mainly focused on the approximations and mathematical techniques required and did not examine the physical interpretations of the operators and quantities which arose from the mathematics. Therefore, in order to round out the chapter and provide a fuller look at SCF theory, this last section will examine the interpretation of orbital energies, the calculation of molecular properties, and the limits of Hartree-Fock theory.

• Orbital Energies and Koopman's Theorem
• The Hartree-Fock Limit
• Molecular Properties