Abstract
A combined-isotopologue direct-potential-fit (DPF) analysis of optical and photoassociation spectroscopy data for the a3Σu+ and 13Σg+ states of Li2 has yielded accurate analytic potential energy functions for both states. The recommended M3LR5,38.0(3) potential for the a3Σu+ state of 7,7Li2 has a well depth of De=333.758(7)cm-1 and an equilibrium distance of re = 4.17005(3) Å, and the associated scattering lengths are aSL = −14.759(9) Å for 7,7Li2 and aSL = −1906(50) Å for 6,6Li2. In spite of a gap of more than 5200 cm−1 (between v(13Σg+)=7 and v(13Σg+)=62) for which there are no data, the DPF procedure can readily yield a 13Σg+ state potential energy function that accurately represents all of the available data and smoothly bridges this gap. For 7,7Li2 our recommended M3LR6,33.6(9) potential has a well depth of De=7093.44(3)cm-1, an equilibrium distance of re = 3.06514(9) Å, and its long-range tail is defined by the lowest energy eigenvalue of a 3 × 3 matrix which takes into account the 3-state mixing near its asymptote.
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.
