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T. H. Dunning Jr. and P. J. Hay, In: H. F. Schaefer III, Ed., Methods of Electronic Structure Theory, Vol. 2, Plenum Press, 1977.

has been cited by the following article:

• TITLE: Spin-Orbit Electronic Structure of the ScBr Molecule

  AUTHORS: Alaa Hamdan, Mahmoud Korek

  KEYWORDS: ScBr Molecule, ab Initio Calculation, Spin-Orbit Calculation, Potential Energy Curves, Spectroscopic Constants

  JOURNAL NAME: Journal of Modern Physics, Vol.2 No.10, October 27, 2011

  ABSTRACT: A theoretical investigation of the spin-orbit electronic states of the molecule ScBr has been performed via CASSCF and MRCI (single and double excitations with Davidson correction) calculations. Spin-orbit effects have been introduced through semi-empirical spin orbit pseudo-potential for scandium while they have been neglected for bromine. Potential energy curves for 42 electronic states in the representation Ω(±) have been determined along with the corresponding spectroscopic constants. The comparison of the present results with those available in the literature shows a good agreement. New results have been investigated in present work for 30 electronic states in the representation Ω(±) for the first time.