An overview is given of the standard methods of ab initio wave-function based quantum chemistry: the Hartree–Fock method, the full configuration-interaction (FCI) method, the multiconfigurational self-consistent field (MCSCF) method, the truncated configuration-interaction (CI) method, the coupled-cluster method, and perturbation theory [T. Helgaker, P. Jørgensen, J. Olsen, Molecular Electronic-Structure Theory, Wiley, Chichester, 2000]. For each method, the underlying physical model is discussed as are some aspects related to their implementation and optimization. The performance of the different methods is compared with one another and with experimental results. Atomic basis functions and molecular basis sets are also briefly described.
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