Electron correlation in molecules. Theoretical and numerical analysis of cluster expansions of electronic wavefunctions

In the Hartree-Fock approximation the correlation between the motions of different electrons is largely neglected, since only the exchange correlation is taken into account. The resulting correlation error causes significant differences between experimental and calculated molecular properties like excitation energies, ionization energies and binding energies. This thesis deals with methods to obtain correlation corrections to Hartree-Fock wavefunctions. ... Zie: Summar