Abstract
The potential energy, electric dipole and electronic transition moment functions have been calculated from highly correlated MRCI electronic wavefunctions for low lying doublet and quartet states of the simplest heteronuclear metal diatomic, BeLi and the isoelectronic ion Be 2 +. The ground state of BeLi was calculated to be bound by 0.31 eV. The MRCI values for the equilibrium bond length r 0 of 2.619 Å is in good agreement with the experimental value of 2.59 Å. The dipole moment of the X 2Σ +, ν = 0 state is calculated to be 2.417 D. The results are compared with the isoelectronic 7 electron system Li 2 −. Spectroscopic constants and radiative transition probabilities are given for most of the calculated states.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
