W. J. Hehre, R. Ditchfield and J. A. Pople, “Self-Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian-Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules,” Journal of Che- mical Physics, Vol. 56, No. 5, 1972, pp. 2257-2262. doi:10.1063/1.1677527

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.