411 research outputs found
The role of interest rates in Federal Reserve policymaking: discussion
Monetary policy - United States ; Interest rates ; Monetary policy
Metallic bonding due to correlations: A quantum chemical ab-initio calculation of the cohesive energy of mercury
Solid mercury in the rhombohedral structure is unbound within the
self-consistent field (Hartree-Fock) approximation. The metallic binding is
entirely due to electronic correlations. We determine the cohesive energy of
solid mercury within an ab-initio many-body expansion for the correlation part.
Electronic correlations in the shell contribute about half to the cohesive
energy. Relativistic effects are found to be very important. Very good
agreement with the experimental value is obtained.Comment: 4 pages, 1 figur
A Study of Transparent Plastics for use on Aircraft. Supplement
This supplement to a NACA study issued in May 1937 entitled "A Study of Transparent Plastics for Use on Aircraft", contains two tables. These tables contain data on bursting strengths of plastics, particularly at low temperatures. Table 1 contains the values reported in a table of the original memorandum, and additional values obtained at approximately 25 C, for three samples of Acrylate resin. The second table contains data obtained for the bursting strength when one surface of the plastic was cooled to approximately -35 C
Rydberg-London Potential for Diatomic Molecules and Unbonded Atom Pairs
We propose and test a pair potential that is accurate at all relevant
distances and simple enough for use in large-scale computer simulations. A
combination of the Rydberg potential from spectroscopy and the London
inverse-sixth-power energy, the proposed form fits spectroscopically determined
potentials better than the Morse, Varnshi, and Hulburt-Hirschfelder potentials
and much better than the Lennard-Jones and harmonic potentials. At long
distances, it goes smoothly to the correct London force appropriate for gases
and preserves van der Waals's "continuity of the gas and liquid states," which
is routinely violated by coefficients assigned to the Lennard-Jones 6-12 form.Comment: Five pages, 10 figure
Multibody Multipole Methods
A three-body potential function can account for interactions among triples of
particles which are uncaptured by pairwise interaction functions such as
Coulombic or Lennard-Jones potentials. Likewise, a multibody potential of order
can account for interactions among -tuples of particles uncaptured by
interaction functions of lower orders. To date, the computation of multibody
potential functions for a large number of particles has not been possible due
to its scaling cost. In this paper we describe a fast tree-code for
efficiently approximating multibody potentials that can be factorized as
products of functions of pairwise distances. For the first time, we show how to
derive a Barnes-Hut type algorithm for handling interactions among more than
two particles. Our algorithm uses two approximation schemes: 1) a deterministic
series expansion-based method; 2) a Monte Carlo-based approximation based on
the central limit theorem. Our approach guarantees a user-specified bound on
the absolute or relative error in the computed potential with an asymptotic
probability guarantee. We provide speedup results on a three-body dispersion
potential, the Axilrod-Teller potential.Comment: To appear in Journal of Computational Physic
Long-range three-body atom-diatom potential for doublet Li
An accurate long-range {\em ab initio} potential energy surface has been
calculated for the ground state lithium trimer in the frozen diatom
approximation using all electron RCCSD(T). The {\em ab initio} energies are
corrected for basis set superposition error and extrapolated to the complete
basis limit. Molecular van der Waals dispersion coefficients and three-body
dispersion damping terms for the atom-diatomic dissociation limit are presented
from a linear least squares fit and shown to be an essentially exact
representation of the {\em ab initio} surface at large range
Formation of atomic tritium clusters and condensates
We present an extensive study of the static and dynamic properties of systems
of spin-polarized tritium atoms. In particular, we calculate the two-body
|F,m_F>=|0,0> s-wave scattering length and show that it can be manipulated via
a Feshbach resonance at a field strength of about 870G. Such a resonance might
be exploited to make and control a Bose-Einstein condensate of tritium in the
|0,0> state. It is further shown that the quartet tritium trimer is the only
bound hydrogen isotope and that its single vibrational bound state is a
Borromean state. The ground state properties of larger spin-polarized tritium
clusters are also presented and compared with those of helium clusters.Comment: 5 pages, 3 figure
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