Electronic spectrum of S2, the electron affinity of S2, and the binding energies of neutral and anionic S3 clusters

Abstract
The low-lying electronic states of the S2 anion have been investigated by quantum-chemical methods incorporating an extensive treatment of electron correlation. All excited doublet states that can be reached in spin- and dipole-allowed transitions from the Πg2 ground state of the anionic disulfur molecule as well as the lowest quartet state Σu4 are characterized by their spectroscopic constants, excitation energies, and transition dipole matrix elements with the ground state. Furthermore, an accurate calibration of the employed theoretical methods with respect to the electron affinity of the sulfur atom, the potential energy curves for the ground states of S2 and S2, the electron affinity of S2, and the binding energies of the neutral and anionic S3 clusters is presented.

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