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Physical Review A

Variational calculation of energy levels in p¯He+ molecular systems

V. I. Korobov

Published Sep 1, 1996• 91 citations
Publisher

Abstract

A variational calculation is presented of energy levels for the nonrelativistic Hamiltonian of the metastable antiprotonic helium atom ${\overline{p}}^{3, 4}{\mathrm{He}}^{+}$. This calculation is based on a molecular expansion of the wave function. We estimate the precision of the results to be about ${10}^{\ensuremath{-}7}$ a.u.

DOI
10.1103/physreva.54.r1749

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A variational calculation is presented of energy levels for the nonrelativistic Hamiltonian of the metastable antiprotonic helium atom p‾3,4He+{\overline{p}}^{3, 4}{\mathrm{He}}^{+}p​3,4He+. This calculation is based on a molecular expansion of the wave function. We estimate the precision of the results to be about 10\ensuremath−7{10}^{\ensuremath{-}7}10\ensuremath−7 a.u.
A very accurate variational expansion is suggested for calculation of nonrelativistic energies of the metastable antiprotonic helium atoms He+p‾.{\mathrm{He}}^{+}\overline{p}.He+p​. This expansion reflects the dual atomic-molecular nature of the system. Convergence of the results as a function of the increasing sets of basis functions shows an accuracy better than ${10}^{\ensuremath{-}10}\mathrm{a}.\mathrm{u}.,$ two orders of magnitude better than in our previous calculations.
The rates of Auger transitions of antiprotonic helium 4{}^{4}4He+p‾{}^{+}\overline{p}+p​ and 3{}^{3}3He+p‾{}^{+}\overline{p}+p​ are calculated by using a variational scattering method with an elaborate three-body trial function. The shift of the energy levels of these systems due to the coupling with the Auger-decay channels is also obtained from this calculation. Thus an improvement is made over the previously calculated nonrelativistic energies. Together with the relativistic corrections calculated elsewhere, the theoretical transition wavelength between the states (n,l)=(37,34)(n,l)=(37,34)(n,l)=(37,34) and (38,33)(38,33)(38,33) of 4{}^{4}4He+p‾{}^{+}\overline{p}+p​, for example, is significantly improved to be 713.593 nm, which compares well with the experimental value 713.578$\ifmmode\pm\else\textpm\fi{}0.006nm.ThecalculatedAugerlifetimeofthelevel(38,33)is3.2ps,ascomparedwiththevalue4.10.006 nm. The calculated Auger lifetime of the level (38,33) is 3.2 ps, as compared with the value 4.10.006nm.ThecalculatedAugerlifetimeofthelevel(38,33)is3.2ps,ascomparedwiththevalue4.1\ifmmode\pm\else\textpm\fi{}$0.2 ps deduced from the measured line broadening. Auger rates are calculated also using Fermi's golden-rule formula with a regular Coulomb function with no phase shift for the Auger electron. The results agree fairly well with the accurate variational results.
Metastable states of antiprotonic helium p‾He+\overline{p}{\mathrm{He}}^{+}p​He+ whose energies lie in the range of the 2S2S2S and 2P2P2P excited states of He are discussed and their energies are calculated using the hyperspherical method within the "symmetric top" approximation. These states can be populated via collisions of antiprotons with excited He atoms. They represent another group of the potentially observable metastable states of p‾He+\overline{p}{\mathrm{He}}^{+}p​He+, which are characterized by the total angular momentum $L\ensuremath{\sim}70$, in contrast to the recently discovered metastable states having $L\ensuremath{\sim}35$.
The computational scheme and calculation results of bound, metastable and Rydberg states of atomic and molecular systems important for laser spectroscopy are presented. The solution to the problem is performed using the authors' software package (see program libraries of the Computer Physics Communications journal and of the Joint Institute for Nuclear Research) that implement the high-accuracy finite element method. The FORTRAN procedure of matching tabulated potential functions with van der Waals asymptotic potential using interpolation Hermite polynomials which provides continuity of both the function itself and its derivative is presented. The efficiency of the proposed approach is demonstrated by calculated for the first time sharp metastable states with complex eigen-energies in a diatomic beryllium molecule and weakly bound Rydberg states of antiprotonic helium atom.
Calculations of low-energy collisions of antiprotons p‾\overline{p}p​ with helium atoms in the ground (11S)(1\phantom{\rule{4pt}{0ex}}^{1}\mathit{S})(11S) and metastable (23S(2\phantom{\rule{4pt}{0ex}}^{3}\mathit{S}(23S and 21S)2\phantom{\rule{4pt}{0ex}}^{1}\mathit{S})21S) states are carried out by using a semiclassical method and by further assuming that one of the two electrons is passive. Antiproton capture to form antiprotonic helium $(\ensuremath{\rightarrow}\overline{p}{\mathrm{He}}^{+}+e)$ and breakup ionization $(\ensuremath{\rightarrow}\overline{p}+{\mathrm{He}}^{+}+e)$ are investigated. The energy dependence of the capture and ionization cross sections and the distributions of the product states are presented and compared with previous theoretical calculations. For the metastable helium targets, most of the p‾He+\overline{p}{\mathrm{He}}^{+}p​He+ atoms produced in the capture have long lifetimes against subsequent Auger decays and can be observed experimentally. For the ground-state targets, however, the formation of such long-lived states is rather a rare event at low collision energies.