Accurate ab initio calculations of spectroscopic constants and properties of BeLi
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Spectroscopy"
DOI: 10.1016/j.jms.2018.03.013
Abstract: Abstract We have calculated the spectroscopic constants and the molecular properties, for the ground-state (X 1 Σ + ) of BeLi+, such as dipole moment, quadrupole moment and dipole polarizability at different levels of correlation:… read more here.
Keywords: properties beli; initio calculations; calculations spectroscopic; accurate initio ... See more keywords
Elucidation of the Ro-Vibrational Band Structures in the Silicon Tetrafluoride Spectra from Accurate Ab Initio Calculations
Sign Up to like & getrecommendations! Published in 2025 at "Molecules"
DOI: 10.3390/molecules30214239
Abstract: We report the construction of comprehensive line lists for the three stable isotopologues of silicon tetrafluoride (28SiF4, 29SiF4, and 30SiF4) using a new effective Hamiltonian and dipole moment model built from accurate ab initio potential… read more here.
Keywords: band; band structures; silicon tetrafluoride; line ... See more keywords