High-precision calculation of loosely bound states of LiPs+ and NaPs+

[摘要] A positronic alkali atom would be the first step to investigate behavior of a positronium(Ps) in an external field from atoms/molecules because the system can be regarded as a simple three-body system using model potentials reflecting electron orbitals of the ion core. In order to precisely determine binding energies and structures of positronic alkali atoms (LiPs+and NaPs+), we improve the model potential so as to reproduce highly excited atomic energy levels of alkali atoms (Li and Na). The polarization potential included by the model potential is expanded in terms of Gaussian functions to finely determine a short range part of the potential which has been assumed to be a simple form. We find better reproducibility not only of atomic levels of the alkali atoms but also of the dipole polarizability of the core ion than previous works. We construct a model potential between a positron and an ion core based on the model potential between the valence electron and ion core. Binding energies associated with a dissociation of the alkali ion core and positronium, and interparticle distances are recalculated. Our results show slightly deeper bound than other previous studies.

[发布机构] Department of Chemistry, Tohoku University, Sendai; 980-8578, Japan^1

[效力级别] 化学

[关键词] Dipole polarizabilities;Electron orbital;Gaussian functions;Interparticle distances;Polarization potential;Reproducibilities;Three-body systems;Valence electron