Electron-correlated calculations, nuclear applications

The methods that will be discussed in the following are all of the ab initio type. Given the molecular field free Hamiltonian in Eq. (2.9), with the nuclear coordinates and charges and the electronic mass given as parameters, in these methods all integrals over this Hamiltonian or parts of it are evaluated ab initio, i.e. by strict application of the appropriate mathematical rules and without using further data from experiment or otherwise. The emphasis will be in particular on the SCF and on so-called correlated methods. Semi-empirical or density functional theory (DFT) methods on the other hand will not be mentioned explicitly. However, most of what will be said about SCF-based methods for the calculation of properties will also apply to semi-empirical or DFT methods, because one can consider to a certain extent the semi-empirical and DFT methods as variants of SCF, just with a slightly different Hamiltonian. 

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