544 research outputs found
Reference-State One-Particle Density-Matrix Theory
A density-matrix formalism is developed based on the one-particle
density-matrix of a single-determinantal reference-state. The v-representable
problem does not appear in the proposed method, nor the need to introduce
functionals defined by a constrained search. The correlation-energy functionals
are not universal; they depend on the external potential. Nevertheless, model
systems can still be used to derive universal energy-functionals. In addition,
the correlation-energy functionals can be partitioned into individual terms
that are -- to a varying degree -- universal; yielding, for example, an
electron gas approximation. Variational and non-variational energy functionals
are introduced that yield the target-state energy when the reference state --
or its corresponding one-particle density matrix -- is constructed from
Brueckner orbitals. Using many-body perturbation theory, diagrammatic
expansions are given for the non-variational energy-functionals, where the
individual diagrams explicitly depend on the one-particle density-matrix.
Non-variational energy-functionals yield generalized Hartree--Fock equations
involving a non-local correlation-potential and the Hartree--Fock exchange;
these equations are obtained by imposing the Brillouin--Brueckner condition.
The same equations -- for the most part -- are obtained from variational
energy-functionals using functional minimizations, yielding the (kernel of)
correlation potential as the functional derivative of correlation-energy
functionals. Approximations for the correlation-energy functions are
introduced, including a one-particle-density-matrix variant of the
local-density approximation (LDA) and a variant of the Lee--Yang--Parr (LYP)
functional.Comment: 68 Page, 0 Figures, RevTeX 4, Submitted to Phys.Rev.A (on April 28
2003
Using the local density approximation and the LYP, BLYP, and B3LYP functionals within Reference--State One--Particle Density--Matrix Theory
For closed-shell systems, the local density approximation (LDA) and the LYP,
BLYP, and B3LYP functionals are shown to be compatible with reference-state
one-particle density-matrix theory, where this recently introduced formalism is
based on Brueckner-orbital theory and an energy functional that includes exact
exchange and a non-universal correlation-energy functional. The method is
demonstrated to reduce to a density functional theory when the
exchange-correlation energy-functional has a simplified form, i.e., its
integrand contains only the coordinates of two electron, say r1 and r2, and it
has a Dirac delta function -- delta(r1 - r2) -- as a factor. Since Brueckner
and Hartree--Fock orbitals are often very similar, any local exchange
functional that works well with Hartree--Fock theory is a reasonable
approximation with reference-state one-particle density-matrix theory. The LDA
approximation is also a reasonable approximation. However, the Colle--Salvetti
correlation-energy functional, and the LYP variant, are not ideal for the
method, since these are universal functionals. Nevertheless, they appear to
provide reasonable approximations. The B3LYP functional is derived using a
linear combination of two functionals: One is the BLYP functional; the other
uses exact exchange and a correlation-energy functional from the LDA.Comment: 26 Pages, 0 figures, RevTeX 4, Submitted to Mol. Phy
Thy-1 interaction with Fas in lipid rafts regulates fibroblast apoptosis and lung injury resolution.
Thy-1-negative lung fibroblasts are resistant to apoptosis. The mechanisms governing this process and its relevance to fibrotic remodeling remain poorly understood. By using either sorted or transfected lung fibroblasts, we found that Thy-1 expression is associated with downregulation of anti-apoptotic molecules Bcl-2 and Bcl-xL, as well as increased levels of cleaved caspase-9. Addition of rhFasL and staurosporine, well-known apoptosis inducers, caused significantly increased cleaved caspase-3, -8, and PARP in Thy-1-transfected cells. Furthermore, rhFasL induced Fas translocation into lipid rafts and its colocalization with Thy-1. These in vitro results indicate that Thy-1, in a manner dependent upon its glycophosphatidylinositol anchor and lipid raft localization, regulates apoptosis in lung fibroblasts via Fas-, Bcl-, and caspase-dependent pathways. In vivo, Thy-1 deficient (Thy1-/-) mice displayed persistence of myofibroblasts in the resolution phase of bleomycin-induced fibrosis, associated with accumulation of collagen and failure of lung fibrosis resolution. Apoptosis of myofibroblasts is decreased in Thy1-/- mice in the resolution phase. Collectively, these findings provide new evidence regarding the role and mechanisms of Thy-1 in initiating myofibroblast apoptosis that heralds the termination of the reparative response to bleomycin-induced lung injury. Understanding the mechanisms regulating fibroblast survival/apoptosis should lead to novel therapeutic interventions for lung fibrosis
Hypercomplex Integrable Systems
In this paper we study hypercomplex manifolds in four dimensions. Rather than
using an approach based on differential forms, we develop a dual approach using
vector fields. The condition on these vector fields may then be interpreted as
Lax equations, exhibiting the integrability properties of such manifolds. A
number of different field equations for such hypercomplex manifolds are
derived, one of which is in Cauchy-Kovaleskaya form which enables a formal
general solution to be given. Various other properties of the field equations
and their solutions are studied, such as their symmetry properties and the
associated hierarchy of conservation laws.Comment: Latex file, 19 page
Supernova Simulations and Strategies For the Dark Energy Survey
We present an analysis of supernova light curves simulated for the upcoming
Dark Energy Survey (DES) supernova search. The simulations employ a code suite
that generates and fits realistic light curves in order to obtain distance
modulus/redshift pairs that are passed to a cosmology fitter. We investigated
several different survey strategies including field selection, supernova
selection biases, and photometric redshift measurements. Using the results of
this study, we chose a 30 square degree search area in the griz filter set. We
forecast 1) that this survey will provide a homogeneous sample of up to 4000
Type Ia supernovae in the redshift range 0.05<z<1.2, and 2) that the increased
red efficiency of the DES camera will significantly improve high-redshift color
measurements. The redshift of each supernova with an identified host galaxy
will be obtained from spectroscopic observations of the host. A supernova
spectrum will be obtained for a subset of the sample, which will be utilized
for control studies. In addition, we have investigated the use of combined
photometric redshifts taking into account data from both the host and
supernova. We have investigated and estimated the likely contamination from
core-collapse supernovae based on photometric identification, and have found
that a Type Ia supernova sample purity of up to 98% is obtainable given
specific assumptions. Furthermore, we present systematic uncertainties due to
sample purity, photometric calibration, dust extinction priors, filter-centroid
shifts, and inter-calibration. We conclude by estimating the uncertainty on the
cosmological parameters that will be measured from the DES supernova data.Comment: 46 pages, 30 figures, resubmitted to ApJ as Revision 2 (final author
revision), which has subtle editorial differences compared to the published
paper (ApJ, 753, 152). Note that this posting includes PDF only due to a bug
in either the latex macros or the arXiv submission system. The source files
are available in the DES document database:
http://des-docdb.fnal.gov/cgi-bin/ShowDocument?docid=624
On Self-Dual Gravity I
(One typo corrected and one incorrect statement removed. Extra details on
conserved quantities and symmetry algebras added).Comment: 17 pages, Latex, DAMTP-R92/4
Overweight and obesity in relation to cardiovascular disease risk factors among medical students in Crete, Greece
BACKGROUND: Recent data indicate increasing rates of adult obesity and mortality from cardiovascular disease (CVD) in Greece. No data, however, are available on prevalence of overweight and obesity in relation to CVD risk factors among young adults in Greece. METHODS: A total of 989 third-year medical students (527 men, 462 women), aged 22 ± 2 years, were recruited from the University of Crete during the period 1989–2001. Anthropometric measures and blood chemistries were obtained. The relationships between obesity indices (body mass index [BMI], waist circumference [WC], waist-to-hip ratio [WHpR], waist-to-height ratio [WHtR]) and CVD risk factor variables (blood pressure, glucose, serum lipoproteins) were investigated. RESULTS: Approximately 40% of men and 23% of women had BMI ≥ 25.0 kg/m(2). Central obesity was found in 33.4% (average percentage corresponding to WC ≥ 90 cm, WHpR ≥ 0.9 and WHtR ≥ 50.0) of male and 21.7% (using WC ≥ 80 cm, WHpR ≥ 0.8, WHtR ≥ 50.0) of female students. Subjects above the obesity indices cut-offs had significantly higher values of CVD risk factor variables. BMI was the strongest predictor of hypertension. WHtR in men and WC in women were the most important indicators of dyslipidaemia. CONCLUSION: A substantial proportion of Greek medical students were overweight or obese, obesity status being related to the presence of hypertension and dyslipidaemia. Simple anthropometric indices can be used to identify these CVD risk factors. Our results underscore the need to implement health promotion programmes and perform large-scale epidemiological studies within the general Greek young adult population
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