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Potential energy surfaces of the low-lying electronic states of the Li + LiCs system

Patryk Jasik, T. Kilich, J. Kozicki +1 more

arXiv:1802.00601Chemical Physics LettersFeb 2, 20184 citations

Local density probing of atomic gas via cold Li-Ca + inelastic collisions in an atom-ion hybrid system

Ryoichi Saito, Shinsuke Haze, Munekazu Fujinaga +2 more

Bulletin of the American Physical SocietyJun 9, 20150 citations

Potential energy surface of Li–O2 system for cold collisions

Piotr Szymon Żuchowski, Katarzyna Madajczyk

This paper explores the interactions between Li and oxygen in their van der Waals state for the study of cold collisions between these two species. The quartet surface was calculated using a basis set converged spin-restricted CCSD(T) method, while for the doublet state, we obtained energy splitting with respect to high-spin using both CASSCF and MRCI approaches. Our findings suggest that the interaction in the quartet state of Li–O2 is weak, with a shallow and nearly isotropic well depth of 37.5 cm−1. The shallow potential well and small reduced mass of the system allow us to predict the scattering length for all possible combinations of 6Li and 7Li with 16O2 and 17O2. This result could be useful for understanding the collision dynamics of Li-O2 in ultra-cold regime.This paper explores the interactions between Li and oxygen in their van der Waals state for the study of cold collisions between these two species. The quartet surface was calculated using a basis set converged spin-restricted CCSD(T) method, while for the doublet state, we obtained energy splitting with respect to high-spin using both CASSCF and MRCI approaches. Our findings suggest that the interaction in the quartet state of Li–O2 is weak, with a shallow and nearly isotropic well depth of 37.5 cm−1. The shallow potential well and small reduced mass of the system allow us to predict the scattering length for all possible combinations of 6Li and 7Li with 16O2 and 17O2. This result could be useful for understanding the collision dynamics of Li-O2 in ultra-cold regime.

Mar 21, 20230 citations

Cold reactive and nonreactive collisions of Li and Rb with C2− : Implications for hybrid-trap experiments

Milaim Kas, Jérôme Loreau, Jacques Liévin +1 more

We present a theoretical investigation of cold reactive and nonreactive collisions of Li and Rb atoms with ${\mathrm{C}}_{2}{}^{\ensuremath{-}}$. The potential energy surfaces for the singlet and triplet states of the $\mathrm{Li}\ensuremath{-}{\mathrm{C}}_{2}{}^{\ensuremath{-}}$ and $\mathrm{Rb}\ensuremath{-}{\mathrm{C}}_{2}{}^{\ensuremath{-}}$ systems have been obtained using the CASSCF followed by ic-MRCI approach with extended basis sets. The potential energy surfaces are then used to investigate the associative detachment reaction and to calculate rotationally inelastic cross sections at low collision energies by means of the close-coupling method. The results are compared to those obtained for other anionic systems such as $\mathrm{Rb}\ensuremath{-}{\mathrm{OH}}^{\ensuremath{-}}$, and the implications for hybrid-trap experiments and sympathetic cooling experiments are explored. Furthermore, we discuss the possibility to perform Doppler thermometry on the ${\mathrm{C}}_{2}{}^{\ensuremath{-}}$ anion and investigate the collision process involving excited electronic states.We present a theoretical investigation of cold reactive and nonreactive collisions of Li and Rb atoms with ${\mathrm{C}}_{2}{}^{\ensuremath{-}}$. The potential energy surfaces for the singlet and triplet states of the $\mathrm{Li}\ensuremath{-}{\mathrm{C}}_{2}{}^{\ensuremath{-}}$ and $\mathrm{Rb}\ensuremath{-}{\mathrm{C}}_{2}{}^{\ensuremath{-}}$ systems have been obtained using the CASSCF followed by ic-MRCI approach with extended basis sets. The potential energy surfaces are then used to investigate the associative detachment reaction and to calculate rotationally inelastic cross sections at low collision energies by means of the close-coupling method. The results are compared to those obtained for other anionic systems such as $\mathrm{Rb}\ensuremath{-}{\mathrm{OH}}^{\ensuremath{-}}$, and the implications for hybrid-trap experiments and sympathetic cooling experiments are explored. Furthermore, we discuss the possibility to perform Doppler thermometry on the ${\mathrm{C}}_{2}{}^{\ensuremath{-}}$ anion and investigate the collision process involving excited electronic states.

arXiv:1810.02295Physical Review AApr 8, 201914 citations

Laser-induced energy transfer in Sr-Li collisions

Friedhelm Dorsch, S. Geltman, P. E. Toschek

Journal of the Optical Society of America BJan 1, 19870 citations

Novel Dynamics in Ultracold Inelastic Li 2 - Rare Gas Collisions

Simon Rothman, William Jasmine, George C. McBane +1 more

Bulletin of the American Physical SocietyMar 17, 20210 citations

Potential energy surface of Li–O2 system for cold collisions

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