Thermal dissociation of dipositronium: path integral Monte Carlo approach

Path integral Monte Carlo simulation of the dipositronium "molecule" Ps$_2$ reveals its surprising thermal instability. Although, the binding energy is $\sim 0.4$ eV, due to the strong temperature dependence of its free energy Ps$_2$ dissociates, or does not form, above $\sim 1000$ K, except for high densities where a small fraction of molecules are in equilibrium with Ps atoms. This prediction is consistent with the recently reported first observation of stable Ps$_2$ molecules by Cassidy & Mills Jr., Nature {\bf 449}, 195 (07), and Phys.Rev.Lett. {\bf 100}, 013401 (08); at temperatures below 1000 K. The relatively sharp transition from molecular to atomic equilibrium, that we find, remains to be experimentally verified. To shed light on the origin of the large entropy factor in free energy we analyze the nature of interatomic interactions of these strongly correlated quantum particles. The conventional diatomic potential curve is given by the van der Waals interaction at large distances, but due to the correlations and high delocalization of constituent particles the concept of potential curve becomes ambiguous at short atomic distances.Comment: Submitted to the Physical Review Letter

Finite temperature quantum statistics of H3+_3^+ molecular ion

Full quantum statistical $NVT$ simulation of the five-particle system H$_3^+$ has been carried out using the path integral Monte Carlo method. Structure and energetics is evaluated as a function of temperature up to the thermal dissociation limit. The weakly density dependent dissociation temperature is found to be around $4000$ K. Contributions from the quantum dynamics and thermal motion are sorted out by comparing differences between simulations with quantum and classical nuclei. The essential role of the quantum description of the protons is established.Comment: submitted to the Journal of Chemical Physic

Atomic diffraction in counter-propagating Gaussian pulses of laser light

We present an analysis of atomic diffraction due to the interaction of an atomic beam with a pair of Gaussian light pulses. We derive a simple analytical expression for the populations in different diffraction orders. The validity of the obtained solution extends beyond the Raman-Nath regime, where the kinetic energy associated with different diffraction peaks is neglected, into the so-called channeling regime where accurate analytical expressions have not previously been available for the diffraction. Comparison with experimental results and exact numerical solutions demonstrate the validity of our analytical formula.Comment: 6 pages, 5 figure

Few-body reference data for multicomponent formalisms: Light nuclei molecules

We present full quantum statistical energetics of some electron-light nuclei systems. This is accomplished with the path integral Monte Carlo method. The effects on energetics arising from the change in the nuclear mass are studied. The obtained results may serve as reference data for the multicomponent density functional theory calculations of light nuclei system. In addition, the results reported here will enable better fitting of todays electron-nuclear energy functionals, for which the description of light nuclei is most challenging, in particular

Motion of vortices in inhomogeneous Bose-Einstein condensates

We derive a general and exact equation of motion for a quantised vortex in an inhomogeneous two-dimensional Bose-Einstein condensate. This equation expresses the velocity of a vortex as a sum of local ambient density and phase gradients in the vicinity of the vortex. We perform Gross-Pitaevskii simulations of single vortex dynamics in both harmonic and hard-walled disk-shaped traps, and find excellent agreement in both cases with our analytical prediction. The simulations reveal that, in a harmonic trap, the main contribution to the vortex velocity is an induced ambient phase gradient, a finding that contradicts the commonly quoted result that the local density gradient is the only relevant effect in this scenario. We use our analytical vortex velocity formula to derive a point-vortex model that accounts for both density and phase contributions to the vortex velocity, suitable for use in inhomogeneous condensates. Although good agreement is obtained between Gross-Pitaevskii and point-vortex simulations for specific few-vortex configurations, the effects of nonuniform condensate density are in general highly nontrivial, and are thus difficult to efficiently and accurately model using a simplified point-vortex description.Comment: 13 pages, 8 figure

Coherence vortices in one spatial dimension

Coherence vortices are screw-type topological defects in the phase of Glauber's two-point degree of quantum coherence, associated with pairs of spatial points at which an ensemble-averaged stochastic quantum field is uncorrelated. Coherence vortices may be present in systems whose dimensionality is too low to support spatial vortices. We exhibit lattices of such quantum-coherence phase defects for a one-dimensional model quantum system. We discuss the physical meaning of coherence vortices and propose how they may be realized experimentally.Comment: 5 pages, 3 figure