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Physical Review A

Calculation of loosely bound levels for three-body quantum systems using hyperspherical coordinates with a mapping procedure

Viatcheslav Kokoouline, Françoise Masnou-Seeuws

Published Jan 10, 2006• 38 citations
Publisher

Abstract

In view of modelization of experiments involving cold atoms and molecules, we develop a method that allows us to calculate weakly bound levels of triatomic molecules. The method combines (1) the hyperspherical coordinates to describe interparticle motion in the three-body system, (2) the solution of the Schr\"odinger equation in two steps: determination of adiabatic states for a fixed hyper-radius and then solution of a set of coupled hyper-radial equations using the slow variable representation of Tolstikhin et al. [J. Phys. B: At. Mol. Opt. Phys. 29, L389 (1996)], (3) and a mapping procedure that reduces considerably the number of basis functions needed to represent wave functions of weakly bound levels. We apply the method to the three different systems: the helium trimer $^{4}\mathrm{He}_{3}$, isotopomers of the $\mathrm{H}_{3}{}^{+}$ ion, and finally a model three-body problem involving three nucleons. For all these systems, we show that the suggested method provides accurate results.

DOI
10.1103/physreva.73.012702

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In view of modelization of experiments involving cold atoms and molecules, we develop a method that allows us to calculate weakly bound levels of triatomic molecules. The method combines (1) the hyperspherical coordinates to describe interparticle motion in the three-body system, (2) the solution of the Schr"odinger equation in two steps: determination of adiabatic states for a fixed hyper-radius and then solution of a set of coupled hyper-radial equations using the slow variable representation of Tolstikhin et al. [J. Phys. B: At. Mol. Opt. Phys. 29, L389 (1996)], (3) and a mapping procedure that reduces considerably the number of basis functions needed to represent wave functions of weakly bound levels. We apply the method to the three different systems: the helium trimer 4He3^{4}\mathrm{He}_{3}4He3​, isotopomers of the H3+\mathrm{H}_{3}{}^{+}H3​+ ion, and finally a model three-body problem involving three nucleons. For all these systems, we show that the suggested method provides accurate results.
We search for the existence of weakly bound He-He-Be molecules. The He-He-Be molecule is treated as a three-body system. By using hyperspherical coordinates, the Schr\"odinger equation for the triatomic system is solved in the adiabatic approximation. A bound state is found for each of the $^{3}\mathrm{He}\text{\ensuremath{-}}^{3}\mathrm{He}\text{\ensuremath{-}}^{9}\mathrm{Be}$, $^{3}\mathrm{He}\text{\ensuremath{-}}^{4}\mathrm{He}\text{\ensuremath{-}}^{9}\mathrm{Be}$, and $^{4}\mathrm{He}\text{\ensuremath{-}}^{4}\mathrm{He}\text{\ensuremath{-}}^{9}\mathrm{Be}$ trimers.
Hyperspherical coordinates provide a systematic way of describing three-body systems. Solving three-body Schrödinger equations in an adiabatic hyperspherical representation is the focus of this thesis. An essentially exact solution can be found numerically by including nonadiabatic couplings using either a slow variable discretization or a traditional adiabatic method. Two different types of three-body systems are investigated: (1) rovibrational states of the triatomic hydrogen ion H+3 and (2) ultracold collisions of three identical bosons.
We developed a method to calculate positions and widths of three-body resonances. The method combines the hyperspherical adiabatic approach, slow variable discretization method [O. I. Tolstikhin et al., J. Phys. B 29, L389 (1996)], and a complex absorbing potential. The method can be used to obtain resonances having short-range or long-range wave functions. In particular, we have applied the method to obtain very shallow three-body Efimov resonances for a model system [E. Nielsen et al., Phys. Rev. A 66, 012705 (2002)].
We search for the existence of weakly bound He-He-Rb molecules. The He-He-Rb molecule is treated as a three-body system. By using hyperspherical coordinates, the Schr\"odinger equation for the triatomic system is solved in the adiabatic approximation. A bound state is found for each of the 3He^{3}\mathrm{He}3He-3He^{3}\mathrm{He}3He-85Rb^{85}\mathrm{Rb}85Rb, 3He^{3}\mathrm{He}3He-4He^{4}\mathrm{He}4He-85Rb^{85}\mathrm{Rb}85Rb, and 4He^{4}\mathrm{He}4He-4He^{4}\mathrm{He}4He-85Rb^{85}\mathrm{Rb}85Rb trimers, respectively. The bound state for the 3He^{3}\mathrm{He}3He-3He^{3}\mathrm{He}3He-85Rb^{85}\mathrm{Rb}85Rb molecule is a Borromean state found in a realistic molecular systems because there are no bound states in both the 3He^{3}\mathrm{He}3He-3He^{3}\mathrm{He}3He and 3He^{3}\mathrm{He}3He-85Rb^{85}\mathrm{Rb}85Rb dimers.
Abstract The structural properties of helium triatomic systems are studied using hyperspherical coordinates. A slow variable discretization approach is adopted to solve the three-body Schrödinger equation, in which the Schrödinger equation in hyperangular coordinates is solved using basis splines at a series of fixed FEM-DVR (finite-element methods–discrete variable representation) hyperradii. We focus on studying the geometrical structure of the 4 He 3 and 3 He 4 He 2 triatomic systems. Using the bound state wave functions obtained, we calculate and analyze the one-dimensional pair distribution and angle distribution functions as well as the two-dimensional angle–angle distributions. All these bound states are found to exhibit such a floppy nature that classifying them into particular geometrical shapes does not appear to be sensible. A comparison will be made with some bound states of the neon trimer, which are expected to be more tightly bound.