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We study how the Mott metal-insulator transition (MIT) is influenced when wedeal with electrons with different angular momenta. For lithium we found anessential effect when we include $p$-orbitals in the description of the Hilbertspace. We apply quantum-chemical methods to sodium rings and chains in order toinvestigate the analogue of a MIT, and how it is influenced by periodic andopen boundaries. By changing the interatomic distance we analyse the characterof the many-body wavefunction and the charge gap. In the second part we mimic abehaviour found in the ionic Hubbard model, where a transition from a band to aMott insulator occurs. For that purpose we perform calculations for mixedsodium-lithium rings. In addition, we examine the question of bond alternationfor the pure sodium system and the mixed sodium-lithium system, in order todetermine under which conditions a Peierls distortion occurs.Comment: 8 pages, 7 figures, accepted Eur. J. Phys.

Ab-initio calculation of the metal-insulator transition in sodium rings and chains and in mixed sodium-lithium systems