Electronic structure modeling : connections between theory and software One dimensional quantum mechanics: a short review Matrices representations and electronic structure modeling Methods of approximation and the SCF method Gaussian lobe basis sets A very simple MO program Geometry optimization and vibrational frequencies by SCF Configuration interaction and potential curves Perturbation theory Highly accurate methods: coupled cluster calculations extrapolation to chemical accuracy and quantum Monte Carlo methods Modeling the Coulomb hole Density functional theory Calculation of nuclear magnetic resonance shielding shifts The representation of electronically excited states Circular dichroism and optical rotatory dispersion