Abstract
The unrestricted Hartree—Fock—Slater (UHFS) solution is regarded as a zero-order wavefunction for configuration interaction (CI), coupled-cluster (CC) and many-body perturbation (MBPT) approaches for large cluster compounds which are more or less collective in electronic nature. The present method is successfully applied to investigate weak δ–δ bonds and δ–δ* excitation energies in binuclear metal complexes such as Mo2Cl4−8.
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