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The Journal of Chemical Physics

A theoretical study of the rovibrational levels of the bosonic van der Waals neon trimer

Moses Salci, S. B. Levin, Nils Elander, E. A. Yarevsky

Published Oct 2, 2008• 23 citations
Publisher

Abstract

The eigenenergies and root mean square radii of the rovibrational levels (J = 0-3) of the weakly bound bosonic van der Waals neon trimer were calculated using a full angular momentum three-dimensional finite element method. The differing results of three previous studies for zero angular momentum are discussed, explained, and compared with the results presented here.

DOI
10.1063/1.2955736

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The Journal of Chemical Physics•Feb 1, 1999•15 citations
The eigenenergies and root mean square radii of the rovibrational levels (J = 0-3) of the weakly bound bosonic van der Waals neon trimer were calculated using a full angular momentum three-dimensional finite element method. The differing results of three previous studies for zero angular momentum are discussed, explained, and compared with the results presented here.
We study theoretically the ground and excited bound states of the bosonic rare gas van der Waals trimer Ne(3). A slow variable discretization approach is adopted to solve the nuclear Schrödinger equation, in which the Schrödinger equation in hyperangular coordinates is solved using basis splines at a series of fixed finite-element methods discrete variable representation hyper-radii. We consider not only zero total nuclear orbital angular momentum, J = 0, states but also J > 0 states. By using the best empirical neon dimer interaction potentials, all the bound state energy levels of Ne(3) will be calculated for total angular momenta up to J = 6, as well as their average root-mean-square radii. We also analyze the wave functions in hyperspherical coordinates for several selected bound states.
When studying the structure formation and fragmentation of complex atomic and nuclear systems it is preferable to start with simple systems where all details can be explored. Some of the knowledge gained from studies of atomic dimers can be generalised to more complex systems. Adding a third atom to an atomic dimer gives a first chance to study how the binding between two atoms is affected by a third. Few-body physics is an intermediate area which helps us to understand some but not all phenomena in many-body physics.Very weakly bound, spatially very extended quantum systems with a wave function reaching far beyond the classical forbidden region and with low angular momentum are characterized as halo systems. These unusual quantum systems, first discovered in nuclear physics may also exist in systems of neutral atoms.Since the first clear theoretical prediction in 1977, of a halo system possessing an Efimov state, manifested in the excited state of the bosonic van der Waals helium trimer 42He3, small helium and different spin-polarised halo hydrogen clusters and their corresponding isotopologues have been intensively studied the last three decades.In the work presented here, the existence of the spin-polarized tritium trimer ground state, 31H3, is demonstrated, verifying earlier predictions, and the system's properties elucidated. Detailed analysis has found no found evidence for other bound states and shape resonances in this system. The properties of the halo helium trimers, 42He3 and 42He2-32He have been investigated. Earlier predictions concerning the ground state energies and structural properties of these systems are validated using our three-dimensional finite element method. In the last part of this work we present results on the bound states and structural properties of the van der Waals bosonic atomic trimers Ne3 and Ar3. We believe to be the first to find evidence of a possible shape resonance just above the three-body dissociation limit of the neon trimer.
When studying the structure formation and fragmentation of complex atomic and nuclear systems it is preferable to start with simple systems where all details can be explored. Some of the knowledge gained from studies of atomic dimers can be generalised to more complex systems. Adding a third atom to an atomic dimer gives a first chance to study how the binding between two atoms is affected by a third. Few-body physics is an intermediate area which helps us to understand some but not all phenomena in many-body physics.Very weakly bound, spatially very extended quantum systems with a wave function reaching far beyond the classical forbidden region and with low angular momentum are characterized as halo systems. These unusual quantum systems, first discovered in nuclear physics may also exist in systems of neutral atoms.Since the first clear theoretical prediction in 1977, of a halo system possessing an Efimov state, manifested in the excited state of the bosonic van der Waals helium trimer 42He3, small helium and different spin-polarised halo hydrogen clusters and their corresponding isotopologues have been intensively studied the last three decades.In the work presented here, the existence of the spin-polarized tritium trimer ground state, 31H3, is demonstrated, verifying earlier predictions, and the system's properties elucidated. Detailed analysis has found no found evidence for other bound states and shape resonances in this system. The properties of the halo helium trimers, 42He3 and 42He2-32He have been investigated. Earlier predictions concerning the ground state energies and structural properties of these systems are validated using our three-dimensional finite element method. In the last part of this work we present results on the bound states and structural properties of the van der Waals bosonic atomic trimers Ne3 and Ar3. We believe to be the first to find evidence of a possible shape resonance just above the three-body dissociation limit of the neon trimer.