Hartree-Fock Theory
Basic Principles and Hartree-Fock Theory
Brian C. Hoffman
- The Schrödinger Equation and Molecular Hamiltonian
- The Born-Oppenheimer Approximation
- The Average Value Theorem and Variational Principle
- The Trial Function: A Slater Determinant
- Slater's Rules
- The Hartree-Fock Equations
- Roothaan's Equations
- Basis Sets
- The SCF Method
- Notation Conventions
- Interpretations: Bringing it all together
- Bibliography
- About this document ..