827 research outputs found
The SF36 as an outcome measure of services for end stage renal failure
OBJECTIVE: —To evaluate the use of the short
form 36 (SF36) as a measure of health
related quality of life of patients with end
stage renal failure, document the results,
and investigate factors, including mode of
treatment, which may influence it.
DESIGN: Cross sectional survey of patients
with end stage renal failure, with the
standard United Kingdom version of the
SF36 supplemented by specific questions
for end stage renal failure.
SETTING: A teaching hospital renal unit.
Subjects and methods—660 patients
treated at the Sheffield Kidney Institute by
haemodialysis, peritoneal dialysis, and
transplantation. Internal consistency, percentage
of maximal or minimal responses,
SF36 scores, effect sizes, correlations
between independent predictor variables
and individual dimension scores of the
SF36. Multiple regression analysis of the
SF36 scores for the physical functioning,
vitality, and mental health dimensions
against treatment, age, risk (comorbidity)
score, and other independent variables.
RESULTS: A high response rate was
achieved. Internal consistency was good.
There were no floor or ceiling effects other
than for the two “role” dimensions. Overall
health related quality of life was poor
compared with the general population.
Having a functioning transplant was a significant
predictor of higher score in the
three dimensions (physical functioning,
vitality, and mental health) for which
multiple regression models were constructed.
Age, sex, comorbidity, duration
of treatment, level of social and emotional
support, household numbers, and hospital
dialysis were also (variably) significant
predictors.
CONCLUSIONS: The SF36 is a practical and
consistent questionnaire in this context,
and there is evidence to support its
construct validity. Overall the health related
quality of life of these patients is
poor, although transplantation is associated
with higher scores independently of
the effect of age and comorbidity. Age,
comorbidity, and sex are also predictive of
the scores attained in the three dimensions
studied. Further studies are required
to ascertain whether altering those
predictor variables which are under the
influence of professional carers is associated
with changes in health related quality
of life, and thus confirm the value of this
outcome as a measure of quality of care
quasiharmonic equations of state for dynamically-stabilized soft-mode materials
We introduce a method for treating soft modes within the analytical framework
of the quasiharmonic equation of state. The corresponding double-well
energy-displacement relation is fitted to a functional form that is harmonic in
both the low- and high-energy limits. Using density-functional calculations and
statistical physics, we apply the quasiharmonic methodology to solid periclase.
We predict the existence of a B1--B2 phase transition at high pressures and
temperatures
Exchange and correlation as a functional of the local density of states
A functional is presented, in which the exchange
and correlation energy of an electron gas depends on the local density of
occupied states. A simple local parametrization scheme is proposed, entirely
from first principles, based on the decomposition of the exchange-correlation
hole in scattering states of different relative energies. In its practical
Kohn-Sham-like form, the single-electron orbitals become the independent
variables, and an explicit formula for the functional derivative is obtained.Comment: 5 pages. Expanded version. Will appear in Phys. Rev.
First Principles Calculation of Elastic Properties of Solid Argon at High Pressures
The density and the elastic stiffness coefficients of fcc solid argon at high
pressures from 1 GPa up to 80 GPa are computed by first-principles
pseudopotential method with plane-wave basis set and the generalized gradient
approximation (GGA). The result is in good agreement with the experimental
result recently obtained with the Brillouin spectroscopy by Shimizu et al.
[Phys. Rev. Lett. 86, 4568 (2001)]. The Cauchy condition was found to be
strongly violated as in the experimental result, indicating large contribution
from non-central many-body force. The present result has made it clear that the
standard density functional method with periodic boundary conditions can be
successfully applied for calculating elastic properties of rare gas solids at
high pressures in contrast to those at low pressures where dispersion forces
are important.Comment: 4 pages, 5 figures, submitted to PR
Reversible Band Gap Engineering in Carbon Nanotubes by Radial Deformation
We present a systematic analysis of the effect of radial deformation on the
atomic and electronic structure of zigzag and armchair single wall carbon
nanotubes using the first principle plane wave method. The nanotubes were
deformed by applying a radial strain, which distorts the circular cross section
to an elliptical one. The atomic structure of the nanotubes under this strain
are fully optimized, and the electronic structure is calculated
self-consistently to determine the response of individual bands to the radial
deformation. The band gap of the insulating tube is closed and eventually an
insulator-metal transition sets in by the radial strain which is in the elastic
range. Using this property a multiple quantum well structure with tunable and
reversible electronic structure is formed on an individual nanotube and its
band-lineup is determined from first-principles. The elastic energy due to the
radial deformation and elastic constants are calculated and compared with
classical theories.Comment: To be appear in Phys. Rev. B, Apr 15, 200
Density-functional embedding using a plane-wave basis
The constrained electron density method of embedding a Kohn-Sham system in a
substrate system (first described by P. Cortona, Phys. Rev. B {\bf 44}, 8454
(1991) and T.A. Wesolowski and A. Warshel, J. Phys. Chem {\bf 97}, 8050 (1993))
is applied with a plane-wave basis and both local and non-local
pseudopotentials. This method divides the electron density of the system into
substrate and embedded electron densities, the sum of which is the electron
density of the system of interest. Coupling between the substrate and embedded
systems is achieved via approximate kinetic energy functionals. Bulk aluminium
is examined as a test case for which there is a strong interaction between the
substrate and embedded systems. A number of approximations to the
kinetic-energy functional, both semi-local and non-local, are investigated. It
is found that Kohn-Sham results can be well reproduced using a non-local
kinetic energy functional, with the total energy accurate to better than 0.1 eV
per atom and good agreement between the electron densities.Comment: 11 pages, 4 figure
Improved tensor-product expansions for the two-particle density matrix
We present a new density-matrix functional within the recently introduced
framework for tensor-product expansions of the two-particle density matrix. It
performs well both for the homogeneous electron gas as well as atoms. For the
homogeneous electron gas, it performs significantly better than all previous
density-matrix functionals, becoming very accurate for high densities and
outperforming Hartree-Fock at metallic valence electron densities. For isolated
atoms and ions, it is on a par with previous density-matrix functionals and
generalized gradient approximations to density-functional theory. We also
present analytic results for the correlation energy in the low density limit of
the free electron gas for a broad class of such functionals.Comment: 4 pages, 2 figure
Ab initio density functional investigation of B_24 cluster: Rings, Tubes, Planes, and Cages
We investigate the equilibrium geometries and the systematics of bonding in
various isomers of a 24-atom boron cluster using Born-Oppenheimer molecular
dynamics within the framework of density functional theory. The isomers studied
are the rings, the convex and the quasiplanar structures, the tubes and, the
closed structures. A staggered double-ring is found to be the most stable
structure amongst the isomers studied. Our calculations reveal that a 24-atom
boron cluster does form closed 3-d structures. All isomers show staggered
arrangement of nearest neighbor atoms. Such a staggering facilitates
hybridization in boron cluster. A polarization of bonds between the peripheral
atoms in the ring and the planar isomers is also seen. Finally, we discuss the
fusion of two boron icosahedra. We find that the fusion occurs when the
distance between the two icosahedra is less than a critical distance of about
6.5a.u.Comment: 8 pages, 9 figures in jpeg format Editorially approved for
publication in Phys. Rev.
Exo-hydrogenated Single Wall Carbon Nanotubes
An extensive first-principles study of fully exo-hydrogenated zigzag (n,0)
and armchair (n,n) single wall carbon nanotubes (CH), polyhedral
molecules including cubane, dodecahedrane, and CH points to
crucial differences in the electronic and atomic structures relevant to
hydrogen storage and device applications. CH's are estimated to be
stable up to the radius of a (8,8) nanotube, with binding energies proportional
to 1/R. Attaching a single hydrogen to any nanotube is always exothermic.
Hydrogenation of zigzag nanotubes is found to be more likely than armchair
nanotubes with similar radius. Our findings may have important implications for
selective functionalization and finding a way of separating similar radius
nanotubes from each other.Comment: 5 pages, 4 postscript figures, Revtex file, To be appear in Physical
Review
Propagation model for multimode optical-fibre waveguide
Pulse dispersions of 5 ps/m have been measured in cladded-glass and liquid-core multimode fibres. A theoretical model is proposed which gives excellent agreement with measured propagation delay and pulse dispersion. In the fibres used, there is little light scattering either in the core or at the core-cladding interface
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