title: The low-lying electronic states of ReB.
abstract: The ground and low-lying electronic states of ReB were studied at the CASPT2//CASSCF level (multiconfigurational second-order perturbation theory) and quadruple-ζ ANO-RCC basis sets. Spectroscopic constants, potential energy curves, wavefunctions, and Mulliken population analysis are given. The ground state of ReB is of X(5)Σ(+) symmetry (R e  = 1.817 Å, ω e  = .909 cm(-1), and μ = 2.87 D), giving rise to a Ω = 0(+) ground state after including spin-orbit coupling.
authors: NAP-PhotTech the USP Consortium for Photochemical Technology Instituto de Química Departamento de Química Fundamental, Universidade de São Paulo, Av. Prof. Lineu Prestes 748, 05508-000, São Paulo, Brazil, ancborin@iq.usp.br.
authors: Antonio Carlos
authors: AC
authors: Borin
authors: João Paulo
authors: JP
authors: Gobbo
authors: César Augusto Milani
authors: CA
authors: Castro