321 research outputs found
Neutral and ionic dopants in helium clusters: interaction forces for the and
The potential energy surface (PES) describing the interactions between
and and an extensive
study of the energies and structures of a set of small clusters,
, 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 and of the
ionized Li 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 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
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