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APS

Ab initio calculation of interaction potentials between two meta-stable Ne atoms

Svetlana Kotochigova, Eite Tiesinga, Ilya I. Tupitsyn

Published May 1, 1998• 0 citations
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The spectral features of the velocity of light-induced drift (LID) of lithium atoms in a neon buffer gas have been theoretically studied using four known ab initio calculated interatomic interaction potentials for the Li–Ne system of colliding particles. The calculations with each of these four potentials predict a strong temperature dependence of the spectral shape of the LID signal of Li atoms in the Ne atmosphere in various temperature intervals. The results allow the high-precision test of the interatomic interaction potentials in experiments on anomalous LID.

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Ab initiostudy of Tm-He interactions and dynamics in a magnetic trap

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The dynamics of magnetic relaxation of Tm atoms in cold helium gas is investigated using ab initio interaction potentials between $\mathrm{Tm}(^{2}F)$ and He atoms. The interaction of $\mathrm{Tm}(^{2}F)$ with He gives rise to four adiabatic potentials of ${\ensuremath{\Sigma}}^{+}$, $\ensuremath{\Pi}$, $\ensuremath{\Delta}$, and $\ensuremath{\Phi}$ symmetries, which are found to be degenerate to within $0.1\phantom{\rule{0.3em}{0ex}}{\mathrm{cm}}^{\ensuremath{-}1}$ at all interatomic distances larger than $R=5.4\phantom{\rule{0.3em}{0ex}}\mathrm{\AA{}}$. The small splitting between the interaction potentials leads to suppression of Zeeman transitions in Tm-He collisions. Our quantum scattering calculations yield a small rate constant of $1.5\ifmmode\times\else\texttimes\fi{}{10}^{\ensuremath{-}15}\phantom{\rule{0.3em}{0ex}}{\mathrm{cm}}^{3}\phantom{\rule{0.2em}{0ex}}{\mathrm{s}}^{\ensuremath{-}1}$ for Zeeman relaxation of the $\mathrm{Tm}(^{2}F_{7∕2})$ atoms in the maximally stretched $M=7∕2$ sublevel at the temperature $0.8\phantom{\rule{0.3em}{0ex}}\mathrm{K}$, in reasonable agreement with the measured value $(5.0\ifmmode\pm\else\textpm\fi{}2.1)\ifmmode\times\else\texttimes\fi{}{10}^{\ensuremath{-}15}\phantom{\rule{0.3em}{0ex}}{\mathrm{cm}}^{3}\phantom{\rule{0.2em}{0ex}}{\mathrm{s}}^{\ensuremath{-}1}$. The sensitivity of Zeeman-relaxation cross sections to details of the interaction potentials is examined. To our knowledge, this is one of only two comparisons of ab initio quantum scattering calculations with experimental measurements of inelastic collisions at subkelvin temperatures near one Kelvin. Our work thus demonstrates the feasibility of describing cold collisions from first principles.

Physical Review A•Aug 2, 2006•15 citations
The spectral features of the velocity of light-induced drift (LID) of lithium atoms in a neon buffer gas have been theoretically studied using four known ab initio calculated interatomic interaction potentials for the Li–Ne system of colliding particles. The calculations with each of these four potentials predict a strong temperature dependence of the spectral shape of the LID signal of Li atoms in the Ne atmosphere in various temperature intervals. The results allow the high-precision test of the interatomic interaction potentials in experiments on anomalous LID.
Abstract Based on five different nonempirical (calculated ab initio) interaction potentials for pairs of colliding Li – Ne particles and three different interaction potentials for pairs of colliding Li – Ar particles, we have theoretically investigated the spectral features of the light-induced drift (LID) rate of Li atoms in the buffer Ne gas in a mixture of buffer Ne + Ar gases. The calculations of LID of Li atoms in the buffer Ne gas for two interaction potentials predict anomalous LID and, as a result, strong sensitivity of the spectral shape of the LID lines to the differences in these potentials. For three other potentials (out of the five in question), the shape of the LID line of Li atoms in Ne is insensitive to the shape of the potential, since calculations with these potentials predict a normal LID effect. In this case, as it turned out, by adding a small fraction (approximately 10 %) of Ar to Ne, one can go from normal LID to anomalous LID and thereby radically increase the sensitivity of the LID line shape of Li atoms to the difference in these interaction potentials. The results obtained enable high-precision testing of the interatomic interaction potentials in experiments on anomalous LID.
The dynamics of magnetic relaxation of Tm atoms in cold helium gas is investigated using ab initio interaction potentials between Tm(2F)\mathrm{Tm}(^{2}F)Tm(2F) and He atoms. The interaction of Tm(2F)\mathrm{Tm}(^{2}F)Tm(2F) with He gives rise to four adiabatic potentials of ${\ensuremath{\Sigma}}^{+}$, $\ensuremath{\Pi}$, $\ensuremath{\Delta}$, and $\ensuremath{\Phi}$ symmetries, which are found to be degenerate to within $0.1\phantom{\rule{0.3em}{0ex}}{\mathrm{cm}}^{\ensuremath{-}1}$ at all interatomic distances larger than R=5.4A˚R=5.4\phantom{\rule{0.3em}{0ex}}\mathrm{\AA{}}R=5.4A˚. The small splitting between the interaction potentials leads to suppression of Zeeman transitions in Tm-He collisions. Our quantum scattering calculations yield a small rate constant of $1.5\ifmmode\times\else\texttimes\fi{}{10}^{\ensuremath{-}15}\phantom{\rule{0.3em}{0ex}}{\mathrm{cm}}^{3}\phantom{\rule{0.2em}{0ex}}{\mathrm{s}}^{\ensuremath{-}1}$ for Zeeman relaxation of the Tm(2F7∕2)\mathrm{Tm}(^{2}F_{7∕2})Tm(2F7∕2​) atoms in the maximally stretched M=7∕2M=7∕2M=7∕2 sublevel at the temperature 0.8K0.8\phantom{\rule{0.3em}{0ex}}\mathrm{K}0.8K, in reasonable agreement with the measured value $(5.0\ifmmode\pm\else\textpm\fi{}2.1)\ifmmode\times\else\texttimes\fi{}{10}^{\ensuremath{-}15}\phantom{\rule{0.3em}{0ex}}{\mathrm{cm}}^{3}\phantom{\rule{0.2em}{0ex}}{\mathrm{s}}^{\ensuremath{-}1}$. The sensitivity of Zeeman-relaxation cross sections to details of the interaction potentials is examined. To our knowledge, this is one of only two comparisons of ab initio quantum scattering calculations with experimental measurements of inelastic collisions at subkelvin temperatures near one Kelvin. Our work thus demonstrates the feasibility of describing cold collisions from first principles.