title: Analytical potential energy functions and spectroscopic properties for the ground and low-lying excited states of KRb.
abstract: The potential energy curves (PECs) of the ground state X(1)Σ(+) and two low-lying excited states 1(3)Σ(+) and 1(3)П of KRb molecule have been calculated using the multireference configuration interaction method and the effective core potential basis set. The PECs are fitted into analytical potential energy functions (APEFs) using the Morse long-range potential. The spectroscopic parameters for the states are determined using the analytical derivatives of APEFs. The vibrational energy levels have been calculated by solving the radial Schrödinger equation of nuclear motion based on the APEFs, and compared with the theoretical and experimental works available at present.
authors.affiliation: School of Physics and Optoelectronics Engineering, Ludong University, Yantai 264025, People's Republic of China.
authors.forename: Kun
authors.initials: K
authors.lastname: Chen
authors.forename: Chuan-Lu
authors.initials: CL
authors.lastname: Yang
authors.forename: Mei-Shan
authors.initials: MS
authors.lastname: Wang
authors.forename: Xiao-Guang
authors.initials: XG
authors.lastname: Ma
authors.forename: Wen-Wang
authors.initials: WW
authors.lastname: Liu
mesh_terms: D004583:Electrons; D008968:Molecular Conformation; D011188:Potassium / Q000737:chemistry*; D011789:Quantum Theory; D012413:Rubidium / Q000737:chemistry*; D013057:Spectrum Analysis
chemical_list: D012413:Rubidium; D011188:Potassium