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- W2045500087 abstract "Electron translation factors (ETF's) appropriate for slow atomic collisions may be constructed using switching functions. In this paper we derive a set of switching functions for the $mathrm{H}_{2}^{}{}_{}{}^{+}$ system by an analytical two-center decomposition of the exact molecular eigenstates. These switching functions are closely approximated by the simple form $f=tanhbensuremath{eta}$, where $ensuremath{eta}$ is the angle variable of prolate spheroidal coordinates. For given united atom angular momentum quantum numbers ($l,m$), the characteristic parameter ${b}_{mathrm{lm}}$ depends only on the quantity ${c}^{2}=frac{ensuremath{-}ensuremath{epsilon}{R}^{2}}{2}$, where $ensuremath{epsilon}$ is the electronic binding energy and $R$ the internuclear distance in a.u. The resulting parameters are in excellent agreement with those found in our earlier work by a heuristic optimization scheme based on a study of coupling matrix-element behavior for a number of $mathrm{H}_{2}^{}{}_{}{}^{+}$ states. An approximate extension to asymmetric cases (He${mathrm{H}}^{2+}$) has also been made. Nonadiabatic couplings based on these switching functions have been used in recent close-coupling calculations for ${mathrm{H}}^{+}ensuremath{-}mathrm{H}(1s)$ collisions and ${mathrm{He}}^{2+}ensuremath{-}mathrm{H}(1s)$ collisions at energies 1.0-20 keV." @default.
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- W2045500087 date "1981-10-01" @default.
- W2045500087 modified "2023-09-27" @default.
- W2045500087 title "Analytically derived switching functions for exactH2+eigenstates" @default.
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- W2045500087 doi "https://doi.org/10.1103/physreva.24.1768" @default.
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