Abstract.
Potential-energy curves for the ground state and lower excited states of the Cd2 dimer have been calculated. They are obtained using a multireference doubles excitation configuration interaction procedure and employing Slater basis sets, previously optimized at the self-consistent-field level for excited states of the Cd atom. The spectroscopic constants and excitation energies for the bound states of Cd2 have been compared with experimental as well as other theoretical results. The ground state of Cd2 is essentially repulsive and presents a shallow van der Waals minimum. The computed adiabatic electronic transitions are in good agreement with the experimental ones.
Similar content being viewed by others
Author information
Authors and Affiliations
Additional information
Received: 16 September 1999 / Accepted: 3 February 2000 / Published online: 2 May 2000
Rights and permissions
About this article
Cite this article
García de la Vega, J., Miguel, B. An ab initio multireference doubles excitation configuration interaction study of low-lying electronic states of Cd2 using Slater-type orbitals. Theor Chem Acc 104, 189–194 (2000). https://doi.org/10.1007/s002140000134
Issue Date:
DOI: https://doi.org/10.1007/s002140000134