Spin-polarized alkali-metal trimers revisited

Abstract

Homonuclear spin-polarized alkali-metal trimers in their lowest-lying electronic state are investigated theoretically. Their equilibrium geometries and binding energies are determined with the state-of-the-art quantum chemical methods at three levels of approximation. The equilibrium geometries obtained $R_{\mathrm{eq}}({\mathrm{Li}}_3)=3.100$ Å, $R_{\mathrm{eq}}({\mathrm{Na}}_3)=4.353$ Å, $R_{\mathrm{eq}}({\mathrm{K}}_3)=4.996$ Å, $R_{\mathrm{eq}}({\mathrm{Rb}}_3)=5.391$ Å, and $R_{\mathrm{eq}}({\mathrm{Cs}}_3)=5.730$ Å are compared to the other theoretical results and also with the very recent experimental results obtained through the laser-induced Coulomb explosion. Further theoretical studies are proposed, which could help with better interpretation of the experimental results for the sodium and cesium trimers.

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