88 research outputs found
Differences in emotional contagion, interpersonal relationships and social rewards in males and females:Examining the links with primary and secondary psychopathic traits
Calculation of ground- and excited-state energies of confined helium atom
We calculate the energies of ground and three low lying excited states of
confined helium atom centered in an impenetrable spherical box. We perform the
calculation by employing variational method with two-parameter variational
forms for the correlated two-particle wave function. With just two variational
parameters we get quite accurate results for both ground and excited state
energies.Comment: 13 pages, No figur
Electron correlation energy in confined two-electron systems
Radial, angular and total correlation energies are calculated for four
two-electron systems with atomic numbers Z=0-3 confined within an impenetrable
sphere of radius R. We report accurate results for the non-relativistic,
restricted Hartree-Fock and radial limit energies over a range of confinement
radii from 0.05 - 10 a0. At small R, the correlation energies approach limiting
values that are independent of Z while at intermediate R, systems with Z > 1
exhibit a characteristic maximum in the correlation energy resulting from an
increase in the angular correlation energy which is offset by a decrease in the
radial correlation energy
Increased prescription rate of anti-infective agents after diagnosis of myelodysplastic syndromes
The a priori risk for infections in patients with myelodysplastic syndromes (MDS) is unknown. This study examines prescription rates of anti-infective agents in MDS patients before and after diagnosis, in both in- and outpatient settings, to provide information on infection management in clinical practice. We performed a population-based study using the HemoBase registry, containing data of all MDS patients diagnosed since 2005 in Friesland, the Netherlands. Community and hospital pharmacies provided prescription data from 1995 to 2020. Data were obtained for 203 of 292 patients (70%). Patients received significantly more anti-infective agents, predominantly antibacterials (70%), after diagnosis compared to before: 148.7 defined daily dose/1000 days (DID) (95% CI: 146.9-150.5) and 55.1 DID (95% CI: 54.5-55.8, p < 0.01), respectively, corresponding to median 23.5 and 7.6 treatment days/year. Higher-risk (449.9 DID) and lower-risk patients (129.1 DID) both received significantly more anti-infective agents after diagnosis; comorbidities, neutropenia, and age did not show significant differences relative to prescription rates. Before diagnosis, 10% of patients had infection-related hospital admissions versus 38% after diagnosis. In conclusion, MDS patients received significantly more anti-infective agents compared to before diagnosis. This is the first study that has quantified the prescription rate of anti-infective agents within and beyond the clinical setting in MDS
Wannier-function description of the electronic polarization and infrared absorption of high-pressure hydrogen
We have constructed maximally-localized Wannier functions for prototype
structures of solid molecular hydrogen under pressure, starting from LDA and
tight-binding Bloch wave functions. Each occupied Wannier function can be
associated with two paired protons, defining a ``Wannier molecule''. The sum of
the dipole moments of these ``molecules'' always gives the correct macroscopic
polarization, even under strong compression, when the overlap between nearby
Wannier functions becomes significant. We find that at megabar pressures the
contributions to the dipoles arising from the overlapping tails of the Wannier
functions is very large. The strong vibron infrared absorption experimentally
observed in phase III, above ~ 150 GPa, is analyzed in terms of the
vibron-induced fluctuations of the Wannier dipoles. We decompose these
fluctuations into ``static'' and ``dynamical'' contributions, and find that at
such high densities the latter term, which increases much more steeply with
pressure, is dominant.Comment: 17 pages, two-column style with 14 postscript figures embedded. Uses
REVTEX and epsf macro
Finite thermal conductivity at the vapor-liquid critical line of a binary fluid mixture
On the second and third virial coefficient of methyl fluoride
Because of the polar character of methyl fluoride its virial coefficients cannot be described by a formula of the Lennard-Jones type for the molecular interaction. On extending this formula with a term, representing the dipole interaction, a good agreement was found between experimental and calculated values of the second and third virial coefficients. Only two constants had to be determined, the third constant occuring in the formula for the intermolecular field was taken from dielectric constant measurements
A calculation of internal kinetic energy and polarizability of compressed argon from the statistical atom model
From Jensen's and GombĂĄs' modification of the statistical Thomas-Fermi atom model, a theory for compressed atoms is developed by changing the boundary conditions. Internal kinetic energy and polarizability of argon are calculated as functions of pressure. At 1000 atm. an internal kinetic energy of about 5.2 kcal/mole is found; the polarizability is about 2.9% less than that at zero pressure. The change with pressure of these quantities is in rough agreement with experimental results at high densities
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