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arXiv:physics/9802054 · Physical Review A

Long-range interactions of metastable helium atoms

Zong-Chao Yan, J. F. Babb

Published Aug 1, 1998• 92 citations
arXivHTMLPDF

Abstract

The electric dipole, quadrupole, and octupole polarizabilities of a helium atom and the associated dispersion coefficients for the interaction of two helium atoms are calculated for the atomic $n=2$ singlet and triplet states, respectively, $\mathrm{He}(2{}^{1}S)$ and $\mathrm{He}(2{}^{3}S)$. The calculations utilize highly accurate, variationally determined, wave functions composed of doubled basis sets. The effects of retardation due to the finite speed of light are calculated for the dispersion potentials of two $\mathrm{He}(2{}^{1}S)$ or two $\mathrm{He}(2{}^{3}S)$ atoms and for the atom-surface interaction potentials of a $\mathrm{He}(2{}^{1}S)$ or a $\mathrm{He}(2{}^{3}S)$ atom with a perfectly conducting or a dielectric wall.

DOI
10.1103/physreva.58.1247

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The electric dipole, quadrupole, and octupole polarizabilities of a helium atom and the associated dispersion coefficients for the interaction of two helium atoms are calculated for the atomic n=2n=2n=2 singlet and triplet states, respectively, He(21S)\mathrm{He}(2{}^{1}S)He(21S) and He(23S)\mathrm{He}(2{}^{3}S)He(23S). The calculations utilize highly accurate, variationally determined, wave functions composed of doubled basis sets. The effects of retardation due to the finite speed of light are calculated for the dispersion potentials of two He(21S)\mathrm{He}(2{}^{1}S)He(21S) or two He(23S)\mathrm{He}(2{}^{3}S)He(23S) atoms and for the atom-surface interaction potentials of a He(21S)\mathrm{He}(2{}^{1}S)He(21S) or a He(23S)\mathrm{He}(2{}^{3}S)He(23S) atom with a perfectly conducting or a dielectric wall.
The retardation long-range potentials between two 11{\mathrm{}}^{1}1S (or 23{\mathrm{}}^{3}3S) helium atoms are calculated. The complex dynamic multipole polarizabilities of 11{\mathrm{}}^{1}1S and 23{\mathrm{}}^{3}3S states of helium are obtained through a variation-perturbation approach with B-spline and Slater-type basis functions in a configuration-interaction scheme. They are used to calculate the retardation long-range potentials. The retardation coefficients are examined. Their relative magnitudes are different for different systems. The possibility of an excited state of helium dimer from the 11{\mathrm{}}^{1}1S--23{\mathrm{}}^{3}3S He2{\mathrm{He}}_{2}He2​ state is estimated. \textcopyright{} 1996 The American Physical Society.
For the interactions between a He(23S)\mathrm{He}(2\phantom{\rule{0.2em}{0ex}}^{3}S)He(23S) atom and a He(23P)\mathrm{He}(2\phantom{\rule{0.2em}{0ex}}^{3}P)He(23P) atom for like isotopes, we report perturbation theoretic calculations using accurate variational wave functions in Hylleraas coordinates of the coefficients determining the potential energies at large internuclear separations. We evaluate the coefficient C3{C}_{3}C3​ of the first order resonant dipole-dipole energy and the van der Waals coefficients C6{C}_{6}C6​, C8{C}_{8}C8​, and C10{C}_{10}C10​ for the second order energies arising from the mutual perturbations of instantaneous electric dipole, quadrupole, and octupole interactions. We also evaluate the leading contribution to the third-order energy. We establish definitive values including treatment of the finite nuclear mass for the $^{3}\mathrm{He}(2\phantom{\rule{0.2em}{0ex}}^{3}S)\text{\ensuremath{-}}^{3}\mathrm{He}(2\phantom{\rule{0.2em}{0ex}}^{3}P)$ and $^{4}\mathrm{He}(2\phantom{\rule{0.2em}{0ex}}^{3}S)\text{\ensuremath{-}}^{4}\mathrm{He}(2\phantom{\rule{0.2em}{0ex}}^{3}P)$ interactions.
We theoretically investigate long-range interactions between an excited LLL-state He atom and two identical SSS-state He atoms for the cases of the three atoms all in spin-singlet states or all in spin-triplet states, denoted by He(${n}_{0}^{\ensuremath{\lambda}}S$)-He(${n}_{0}^{\ensuremath{\lambda}}S$)-He(${n}_{0}^{\ensuremath{'}\ensuremath{\lambda}}L$), with n0{n}_{0}n0​ and ${n}_{0}^{\ensuremath{'}}$ principal quantum numbers, $\ensuremath{\lambda}=1$ or 3 the spin multiplicity, and LLL the orbital angular momentum of a He atom. Using degenerate perturbation theory for the energies up to second-order, we evaluate the coefficients C3{C}_{3}C3​ of the first-order dipolar interactions and the coefficients C6{C}_{6}C6​ and C8{C}_{8}C8​ of the second-order additive and nonadditive interactions. Both the dipolar and dispersion interaction coefficients, for these three-body degenerate systems, show dependences on the geometrical configurations of the three atoms. The nonadditive interactions start to appear in second-order. To demonstrate the results and for applications, the obtained coefficients Cn{C}_{n}Cn​ are evaluated with highly accurate variationally generated nonrelativistic wave functions in Hylleraas coordinates for $\text{He}(1{\phantom{\rule{0.16em}{0ex}}}^{1}S)\text{\ensuremath{-}}\text{He}(1{\phantom{\rule{0.16em}{0ex}}}^{1}S)\text{\ensuremath{-}}\text{He}(2{\phantom{\rule{0.16em}{0ex}}}^{1}S)$, $\text{He}(1{\phantom{\rule{0.16em}{0ex}}}^{1}S)\text{\ensuremath{-}}\text{He}(1{\phantom{\rule{0.16em}{0ex}}}^{1}S)\text{\ensuremath{-}}\text{He}(2{\phantom{\rule{0.16em}{0ex}}}^{1}P)$, $\text{He}(2{\phantom{\rule{0.16em}{0ex}}}^{1}S)\text{\ensuremath{-}}\text{He}(2{\phantom{\rule{0.16em}{0ex}}}^{1}S)\text{\ensuremath{-}}\text{He}(2{\phantom{\rule{0.16em}{0ex}}}^{1}P)$, and $\text{He}(2{\phantom{\rule{0.16em}{0ex}}}^{3}S)\text{\ensuremath{-}}\text{He}(2{\phantom{\rule{0.16em}{0ex}}}^{3}S)\text{\ensuremath{-}}\text{He}(2{\phantom{\rule{0.16em}{0ex}}}^{3}P)$. The calculations are given for three like nuclei for the cases of hypothetical infinite mass He nuclei, and of real finite mass 4He^{4}\mathrm{He}4He or 3He^{3}\mathrm{He}3He nuclei. The special cases of the three atoms in equilateral triangle configurations are explored in detail, and for the cases in which one of the atoms is in a PPP state, we also present results for the atoms in an isosceles right triangle configuration or in an equally spaced collinear configuration. The results can be applied to construct potential energy surfaces for three helium atom systems.
Abstract The energy of interaction of a normal helium atom and one excited to the first triplet or singlet metastable state is calculated over a range of nuclear separations from a0 to 12a0. The Heitler-London method is followed, with inclusion of all non-orthogonality integrals, and using analytic wave functions. Because of identity of the nuclei, g and u states of interaction occur, the energy of the u state having a minimum at about 2·1a0, and a positive maximum of 0·29 and 0·26 eV (for triplet and singlet states respectively) at about 4a0; the g state is entirely repulsive. Comparison is made with experimental evidence for the binding energy of normal and metastable (triplet) atoms. An estimate is made of the second-order dipole-dipole interaction for large separations, and it seems certain that the first-order interaction dominates at least to 12a0. Methods of calculating the necessary integrals are discussed in an appendix.
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