title: Potential energy curves and lifetimes of low-lying excited electronic states of CSe studied by configuration interaction method.
abstract: In this work, we performed a high level ab initio study on the low-lying electronic states of CSe, utilizing MRCI+Q (the internally contracted multireference configuration interaction, and Davidson's correction) method with scalar relativistic and spin-orbit coupling effects taken into account. The potential energy curves of 18 Λ-S states associated with the lowest dissociation limit of CSe molecule, as well as those of 50 Ω states generated from the Λ-S states were computed. The spectroscopic parameters of bound states were evaluated, which agree well with existing theoretical and experimental results. With the aid of calculated spin-orbit matrix elements and the Λ-S compositional variation of the Ω states, the spin-orbit perturbations of low-lying states to the A(1)Π and a(3)Π states are analyzed. Finally, the transition dipole moments of A(1)Π, A'(1)Σ(+), a(3)Π0+, and a(3)Π1 to the ground X(1)Σ(+) state as well as the lifetimes of the four excited states were evaluated.
authors.affiliation: Institute of Atomic and Molecular Physics, Jilin University , Changchun 130012, China.
authors.forename: Rui
authors.initials: R
authors.lastname: Li
authors.forename: Erping
authors.initials: E
authors.lastname: Sun
authors.forename: Mingxing
authors.initials: M
authors.lastname: Jin
authors.forename: Haifeng
authors.initials: H
authors.lastname: Xu
authors.forename: Bing
authors.initials: B
authors.lastname: Yan