582 research outputs found
Homogeneous Gold Catalysis through Relativistic Effects: Addition of Water to Propyne
In the catalytic addition of water to propyne the Au(III) catalyst is not
stable under non-relativistic conditions and dissociates into a Au(I) compound
and Cl2. This implies that one link in the chain of events in the catalytic
cycle is broken and relativity may well be seen as the reason why Au(III)
compounds are effective catalysts.Comment: 12 pages, 3 figures, 1 tabl
The 10 Meter South Pole Telescope
The South Pole Telescope (SPT) is a 10 m diameter, wide-field, offset
Gregorian telescope with a 966-pixel, multi-color, millimeter-wave, bolometer
camera. It is located at the Amundsen-Scott South Pole station in Antarctica.
The design of the SPT emphasizes careful control of spillover and scattering,
to minimize noise and false signals due to ground pickup. The key initial
project is a large-area survey at wavelengths of 3, 2 and 1.3 mm, to detect
clusters of galaxies via the Sunyaev-Zeldovich effect and to measure the
small-scale angular power spectrum of the cosmic microwave background (CMB).
The data will be used to characterize the primordial matter power spectrum and
to place constraints on the equation of state of dark energy. A
second-generation camera will measure the polarization of the CMB, potentially
leading to constraints on the neutrino mass and the energy scale of inflation.Comment: 47 pages, 14 figures, updated to match version to be published in
PASP 123 903 (May, 2011
Quantum Computer with Mixed States and Four-Valued Logic
In this paper we discuss a model of quantum computer in which a state is an
operator of density matrix and gates are general quantum operations, not
necessarily unitary. A mixed state (operator of density matrix) of n two-level
quantum systems is considered as an element of 4^n-dimensional operator Hilbert
space (Liouville space). It allows to use a quantum computer model with
four-valued logic. The gates of this model are general superoperators which act
on n-ququat state. Ququat is a quantum state in a four-dimensional (operator)
Hilbert space. Unitary two-valued logic gates and quantum operations for an
n-qubit open system are considered as four-valued logic gates acting on
n-ququat. We discuss properties of quantum four-valued logic gates. In the
paper we study universality for quantum four-valued logic gates.Comment: 17 page
Excited States of Ladder-type Poly-p-phenylene Oligomers
Ground state properties and excited states of ladder-type paraphenylene
oligomers are calculated applying semiempirical methods for up to eleven
phenylene rings. The results are in qualitative agreement with experimental
data. A new scheme to interpret the excited states is developed which reveals
the excitonic nature of the excited states. The electron-hole pair of the
S1-state has a mean distance of approximately 4 Angstroem.Comment: 24 pages, 21 figure
Theory and applications of atomic and ionic polarizabilities
Atomic polarization phenomena impinge upon a number of areas and processes in
physics. The dielectric constant and refractive index of any gas are examples
of macroscopic properties that are largely determined by the dipole
polarizability. When it comes to microscopic phenomena, the existence of
alkaline-earth anions and the recently discovered ability of positrons to bind
to many atoms are predominantly due to the polarization interaction. An
imperfect knowledge of atomic polarizabilities is presently looming as the
largest source of uncertainty in the new generation of optical frequency
standards. Accurate polarizabilities for the group I and II atoms and ions of
the periodic table have recently become available by a variety of techniques.
These include refined many-body perturbation theory and coupled-cluster
calculations sometimes combined with precise experimental data for selected
transitions, microwave spectroscopy of Rydberg atoms and ions, refractive index
measurements in microwave cavities, ab initio calculations of atomic structures
using explicitly correlated wave functions, interferometry with atom beams, and
velocity changes of laser cooled atoms induced by an electric field. This
review examines existing theoretical methods of determining atomic and ionic
polarizabilities, and discusses their relevance to various applications with
particular emphasis on cold-atom physics and the metrology of atomic frequency
standards.Comment: Review paper, 44 page
A first-principles approach to electrical transport in atomic-scale nanostructures
We present a first-principles numerical implementation of Landauer formalism
for electrical transport in nanostructures characterized down to the atomic
level. The novelty and interest of our method lies essentially on two facts.
First of all, it makes use of the versatile Gaussian98 code, which is widely
used within the quantum chemistry community. Secondly, it incorporates the
semi-infinite electrodes in a very generic and efficient way by means of Bethe
lattices. We name this method the Gaussian Embedded Cluster Method (GECM). In
order to make contact with other proposed implementations, we illustrate our
technique by calculating the conductance in some well-studied systems such as
metallic (Al and Au) nanocontacts and C-atom chains connected to metallic (Al
and Au) electrodes. In the case of Al nanocontacts the conductance turns out to
be quite dependent on the detailed atomic arrangement. On the contrary, the
conductance in Au nanocontacts presents quite universal features. In the case
of C chains, where the self-consistency guarantees the local charge transfer
and the correct alignment of the molecular and electrode levels, we find that
the conductance oscillates with the number of atoms in the chain regardless of
the type of electrode. However, for short chains and Al electrodes the even-odd
periodicity is reversed at equilibrium bond distances.Comment: 14 pages, two-column format, submitted to PR
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A model for the consolidation of rafted sea ice
Rafting is one of the important deformation mechanisms of sea ice. This process is widespread in the north Caspian Sea, where multiple rafting produces thick sea ice features, which are a hazard to offshore operations. Here we present a one-dimensional, thermal consolidation model for rafted sea ice. We consider the consolidation between the layers of both a two-layer and a three-layer section of rafted sea ice. The rafted ice is assumed to be composed of layers of sea ice of equal thickness, separated by thin layers of ocean water. Results show that the thickness of the liquid layer reduced asymptotically with time, such that there always remained a thin saline liquid layer. We propose that when the liquid layer is equal to the surface roughness the adjacent layers can be considered consolidated. Using parameters representative of the north Caspian, the Arctic, and the Antarctic, our results show that for a choice of standard parameters it took under 15 h for two layers of rafted sea ice to consolidate. Sensitivity studies showed that the consolidation model is highly sensitive to the initial thickness of the liquid layer, the fraction of salt release during freezing, and the height of the surface asperities. We believe that further investigation of these parameters is needed before any concrete conclusions can be drawn about rate of consolidation of rafted sea ice features
A Grassmann integral equation
The present study introduces and investigates a new type of equation which is
called Grassmann integral equation in analogy to integral equations studied in
real analysis. A Grassmann integral equation is an equation which involves
Grassmann integrations and which is to be obeyed by an unknown function over a
(finite-dimensional) Grassmann algebra G_m. A particular type of Grassmann
integral equations is explicitly studied for certain low-dimensional Grassmann
algebras. The choice of the equation under investigation is motivated by the
effective action formalism of (lattice) quantum field theory. In a very general
setting, for the Grassmann algebras G_2n, n = 2,3,4, the finite-dimensional
analogues of the generating functionals of the Green functions are worked out
explicitly by solving a coupled system of nonlinear matrix equations. Finally,
by imposing the condition G[{\bar\Psi},{\Psi}] = G_0[{\lambda\bar\Psi},
{\lambda\Psi}] + const., 0<\lambda\in R (\bar\Psi_k, \Psi_k, k=1,...,n, are the
generators of the Grassmann algebra G_2n), between the finite-dimensional
analogues G_0 and G of the (``classical'') action and effective action
functionals, respectively, a special Grassmann integral equation is being
established and solved which also is equivalent to a coupled system of
nonlinear matrix equations. If \lambda \not= 1, solutions to this Grassmann
integral equation exist for n=2 (and consequently, also for any even value of
n, specifically, for n=4) but not for n=3. If \lambda=1, the considered
Grassmann integral equation has always a solution which corresponds to a
Gaussian integral, but remarkably in the case n=4 a further solution is found
which corresponds to a non-Gaussian integral. The investigation sheds light on
the structures to be met for Grassmann algebras G_2n with arbitrarily chosen n.Comment: 58 pages LaTeX (v2: mainly, minor updates and corrections to the
reference section; v3: references [4], [17]-[21], [39], [46], [49]-[54],
[61], [64], [139] added
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