Neutral and ionic dopants in helium clusters: interaction forces for the Li2(a3Σu+)−HeLi_2(a^3\Sigma_u^+)-He and Li2+(X2Σg+)−HeLi_2^+(X^2\Sigma_g^+)-He

The potential energy surface (PES) describing the interactions between $\mathrm{Li_{2}(^{1}\Sigma_{u}^{+})}$ and $\mathrm{^{4}He}$ and an extensive study of the energies and structures of a set of small clusters, $\mathrm{Li_{2}(He)_{n}}$, have been presented by us in a previous series of publications [1-3]. In the present work we want to extend the same analysis to the case of the excited $\mathrm{Li_{2}}(a^{3}\Sigma_{u}^{+})$ and of the ionized Li$_{2}^{+}(X^{2}\Sigma_{g}^{+})$ moiety. We thus show here calculated interaction potentials for the two title systems and the corresponding fitting of the computed points. For both surfaces the MP4 method with cc-pV5Z basis sets has been used to generate an extensive range of radial/angular coordinates of the two dimensional PES's which describe rigid rotor molecular dopants interacting with one He partner

Bosonic Helium droplets with cationic impurities: onset of electrostriction and snowball effects from quantum calculations

Variational MonteCarlo and Diffusion MonteCarlo calculations have been carried out for cations like Li$^+$, Na$^+$ and K$^+$ as dopants of small helium clusters over a range of cluster sizes up to about 12 solvent atoms. The interaction has been modelled through a sum-of-potential picture that disregards higher order effects beyond atom-atom and atom-ion contributions. The latter were obtained from highly correlated ab-initio calculations over a broad range of interatomic distances. This study focuses on two of the most striking features of the microsolvation in a quantum solvent of a cationic dopant: electrostriction and snowball effects. They are here discussed in detail and in relation with the nanoscopic properties of the interaction forces at play within a fully quantum picture of the clusters features

Composition-induced structural transitions in mixed rare-gas clusters

The low-energy structures of mixed Ar--Xe and Kr--Xe Lennard-Jones clusters are investigated using a newly developed parallel Monte Carlo minimization algorithm with specific exchange moves between particles or trajectories. Tests on the 13- and 19- atom clusters show a significant improvement over the conventional basin-hopping method, the average search length being reduced by more than one order of magnitude. The method is applied to the more difficult case of the 38-atom cluster, for which the homogeneous clusters have a truncated octahedral shape. It is found that alloys of dissimilar elements (Ar--Xe) favor polytetrahedral geometries over octahedra due to the reduced strain penalty. Conversely, octahedra are even more stable in Kr--Xe alloys than in Kr_38 or Xe_38, and they show a core-surface phase separation behavior. These trends are indeed also observed and further analysed on the 55-atom cluster. Finally, we correlate the relative stability of cubic structures in these clusters to the glassforming character of the bulk mixtures.Comment: 14 pages, 8 figures, 5 tables PRB vol 70, in pres

Colliding Axion-Dilaton Plane Waves from Black Holes

The colliding plane wave metric discovered by Ferrari and Iba\~{n}ez to be locally isometric to the interior of a Schwarzschild black hole is extended to the case of general axion-dilaton black holes. Because the transformation maps either black hole horizon to the focal plane of the colliding waves, this entire class of colliding plane wave spacetimes only suffers from the formation of spacetime singularities in the limits where the inner horizon itself is singular, which occur in the Schwarzschild and dilaton black hole limits. The supersymmetric limit corresponding to the extreme axion-dilaton black hole yields the Bertotti-Robinson metric with the axion and dilaton fields flowing to fixed constant values. The maximal analytic extension of this metric across the Cauchy horizon yields a spacetime in which two sandwich waves in a cylindrical universe collide to produce a semi-infinite chain of Reissner-Nordstrom-like wormholes. The focussing of particle and string geodesics in this spacetime is explored.Comment: 19 pages, 6 figure

The averaged null energy condition for general quantum field theories in two dimensions

It is shown that the averaged null energy condition is fulfilled for a dense, translationally invariant set of vector states in any local quantum field theory in two-dimensional Minkowski spacetime whenever the theory has a mass gap and possesses an energy-momentum tensor. The latter is assumed to be a Wightman field which is local relative to the observables, generates locally the translations, is divergence-free, and energetically bounded. Thus the averaged null energy condition can be deduced from completely generic, standard assumptions for general quantum field theory in two-dimensional flat spacetime.Comment: LateX2e, 16 pages, 1 eps figur

Quantum field theory and time machines

We analyze the "F-locality condition" (proposed by Kay to be a mathematical implementation of a philosophical bias related to the equivalence principle, we call it the "GH-equivalence principle"), which is often used to build a generalization of quantum field theory to non-globally hyperbolic spacetimes. In particular we argue that the theorem proved by Kay, Radzikowski, and Wald to the effect that time machines with compactly generated Cauchy horizons are incompatible with the F-locality condition actually does not support the "chronology protection conjecture", but rather testifies that the F-locality condition must be modified or abandoned. We also show that this condition imposes a severe restriction on the geometry of the world (it is just this restriction that comes into conflict with the existence of a time machine), which does not follow from the above mentioned philosophical bias. So, one need not sacrifice the GH-equivalence principle to "emend" the F-locality condition. As an example we consider a particular modification, the "MF-locality condition". The theory obtained by replacing the F-locality condition with the MF-locality condition possesses a few attractive features. One of them is that it is consistent with both locality and the existence of time machines.Comment: Revtex, 14 pages, 1 .ps figure. To appear in Phys. Rev. D More detailed discussion is given on the MF-locality condition. Minor corrections in terminolog

Colliding plane wave solution in F(R)=R^{N} gravity

We identify a region of F(R)=R^{N} gravity without external sources which is isometric to the spacetime of colliding plane waves (CPW). From the derived curvature sources, N (N>1) measures the strength (i.e. the charge) of the source. The analogy renders construction and collision of plane waves in F(R)=R^{N} gravity possible, as in the Einstein-Maxwell (EM) theory, simply because R=0. A plane wave in this type of gravity is equivalent to a Weyl curvature plus an electromagnetic energy-momentum-like term (i.e. 'source without source'). For N=1 we recover naturally the plane waves (and their collision) in Einstein's theory. Our aim is to find the effect of an expanding universe by virtue of F(R)=R^{N} on the colliding gravitational plane waves of Einstein.Comment: 9 pages, 2 figure

Rotationally inelastic processes of C-2(-) ((2)Sigma(+)(g)) colliding with He (S-1) at low temperatures: ab initio interaction potential, state changing rates and kinetic modelling

We discuss in detail the quantum rotationally inelastic dynamics of an important anion often discussed as a possible constituent of the interstellar medium (ISM) and in different environments of circumstellar envelopes: the ${{\rm{C}}}_{2}^{-}$ molecular ion. Its interaction forces with one of the most abundant atoms of the ISM, the neutral helium atom, are obtained for the first time using ab initio quantum chemistry methods. The overall angular anisotropy of the potential energy surface is analysed in order to link its features with the efficiency of transferring energy from the abundant He atoms to the internal rotational levels of this molecular anion. Calculations of the corresponding rotational state-to-state inelastic cross sections, for both excitation and de-excitation paths are obtained by using a multichannel quantum method. The corresponding inelastic rates at the temperatures of interest are determined and their role in distributing molecular states over the different populations of the rotational levels at the temperatures of that environment is discussed. These computed rates are also linked to the dynamical behaviour of the title molecule when confined in cold ion traps and made to interact with He as the common buffer gas, in preparation for state-selective photo-detachment experiments