226 research outputs found
Spin polarization of light atoms in jellium: Detailed electronic structures
We revisit the problem of the spontaneous magnetization of an {\em sp}
impurity atom in a simple metal host. The main features of interest are: (i)
Formation of the spherical spin density/charge density wave around the
impurity; (ii) Considerable decrease in the size of the pseudoatom in the
spin-polarized state as compared with the paramagnetic one, and (iii) Relevance
of the electron affinity of the isolated atom to this spin polarization, which
is clarified by tracing the transformation of the pseudoatom into an isolated
negative ion in the low-density limit of the enveloping electron gas.Comment: 4 pages, 4 figures, accepted to Phys. Rev.
Electron attachment to SF6 and lifetimes of SF6- negative ions
We study the process of low-energy electron capture by the SF6 molecule. Our
approach is based on the model of Gauyacq and Herzenberg [J. Phys. B 17, 1155
(1984)] in which the electron motion is coupled to the fully symmetric
vibrational mode through a weakly bound or virtual s state. By tuning the two
free parameters of the model, we achieve an accurate description of the
measured electron attachment cross section and good agreement with vibrational
excitation cross sections of the fully symmetric mode. An extension of the
model provides a limit on the characteristic time of intramolecular vibrational
relaxation in highly-excited SF6-. By evaluating the total vibrational spectrum
density of SF6-, we estimate the widths of the vibrational Feshbach resonances
of the long-lived negative ion. We also analyse the possible distribution of
the widths and its effect on the lifetime measurements, and investigate
nonexponential decay features in metastable SF6-.Comment: 22 pages, 10 figures, submitted to Phys. Rev.
Three-photon detachment of electrons from the fluorine negative ion
Absolute three-photon detachment cross sections are calculated for the
fluorine negative ion within the lowest-order perturbation theory. The Dyson
equation of the atomic many-body theory is used to obtain the ground-state 2p
wavefunction with correct asymptotic behaviour, corresponding to the true
(experimental) binding energy. We show that in accordance with the adiabatic
theory (Gribakin and Kuchiev 1997 {Phys. Rev. A} {\bf 55} 3760) this is crucial
for obtaining absolute values of the multiphoton cross sections. Comparisons
with other calculations and experimental data are presented.Comment: 10 pages, two figures, Latex, IOP styl
Energy density and weight change in a long-term weight-loss trial
<p>Abstract</p> <p>Background</p> <p>Health risks linked to obesity and the difficulty most have in achieving weight loss underscore the importance of identifying dietary factors that contribute to successful weight loss.</p> <p>Methods</p> <p>This study examined the association between change in dietary energy density and weight loss over time. Subjects were 213 men and women with BMI of 30–39 kg/m<sup>2 </sup>and without chronic illness enrolled in 2004 in a randomized trial evaluating behavioral treatments for long-term weight loss. Subjects completed a 62-item food frequency questionnaire at baseline and at 6, 12, and 18 months.</p> <p>Results</p> <p>Pearson correlations between BMI and energy density (kcals/g of solid food) at baseline were not significantly different from zero (r = -0.02, p = 0.84). In a longitudinal analysis, change in energy density was strongly related to change in BMI. The estimated β for change in BMI (kg/m<sup>2</sup>) of those in the quartile representing greatest decrease in energy density at 18 months compared to those in the quartile with the least was -1.95 (p = 0.006). The association was especially strong in the first six months (estimated β = -1.43), the period with greatest weight loss (mean change in BMI = -2.50 kg/m<sup>2 </sup>from 0–6 months <it>vs. </it>0.23 kg/m<sup>2 </sup>from 12–18 months) and the greatest contrast with respect to change in energy density.</p> <p>Conclusion</p> <p>Decreased energy density predicted weight loss in this 18 month weight loss study. These findings may have important implications for individual dietary advice and public health policies targeting weight control in the general population</p
Calculation of the positron bound state with the copper atom
A new relativistic method for calculation of positron binding to atoms is
presented. The method combines a configuration interaction treatment of the
valence electron and the positron with a many-body perturbation theory
description of their interaction with the atomic core. We apply this method to
positron binding by the copper atom and obtain the binding energy of 170 meV (+
- 10%). To check the accuracy of the method we use a similar approach to
calculate the negative copper ion. The calculated electron affinity is 1.218
eV, in good agreement with the experimental value of 1.236 eV. The problem of
convergence of positron-atom bound state calculations is investigated, and
means to improve it are discussed. The relativistic character of the method and
its satisfactory convergence make it a suitable tool for heavier atoms.Comment: 15 pages, 5 figures, RevTe
Isotope shift in the electron affinity of chlorine
The specific mass shift in the electron affinity between ^{35}Cl and ^{37}Cl
has been determined by tunable laser photodetachment spectroscopy to be
-0.51(14) GHz. The isotope shift was observed as a difference in the onset of
the photodetachment process for the two isotopes. In addition, the electron
affinity of Cl was found to be 29138.59(22) cm^{-1}, giving a factor of 2
improvement in the accuracy over earlier measurements. Many-body calculations
including lowest-order correlation effects demonstrates the sensitivity of the
specific mass shift and show that the inclusion of higher-order correlation
effects would be necessary for a quantitative description.Comment: 16 pages, 6 figures, LaTeX2e, amsmat
Positron-molecule interactions: resonant attachment, annihilation, and bound states
This article presents an overview of current understanding of the interaction
of low-energy positrons with molecules with emphasis on resonances, positron
attachment and annihilation. Annihilation rates measured as a function of
positron energy reveal the presence of vibrational Feshbach resonances (VFR)
for many polyatomic molecules. These resonances lead to strong enhancement of
the annihilation rates. They also provide evidence that positrons bind to many
molecular species. A quantitative theory of VFR-mediated attachment to small
molecules is presented. It is tested successfully for selected molecules (e.g.,
methyl halides and methanol) where all modes couple to the positron continuum.
Combination and overtone resonances are observed and their role is elucidated.
In larger molecules, annihilation rates from VFR far exceed those explicable on
the basis of single-mode resonances. These enhancements increase rapidly with
the number of vibrational degrees of freedom. While the details are as yet
unclear, intramolecular vibrational energy redistribution to states that do not
couple directly to the positron continuum appears to be responsible for these
enhanced annihilation rates. Downshifts of the VFR from the vibrational mode
energies have provided binding energies for thirty species. Their dependence
upon molecular parameters and their relationship to positron-atom and
positron-molecule binding energy calculations are discussed. Feshbach
resonances and positron binding to molecules are compared with the analogous
electron-molecule (negative ion) cases. The relationship of VFR-mediated
annihilation to other phenomena such as Doppler-broadening of the gamma-ray
annihilation spectra, annihilation of thermalized positrons in gases, and
annihilation-induced fragmentation of molecules is discussed.Comment: 50 pages, 40 figure
Electron attachment to valence-excited CO
The possibility of electron attachment to the valence state of CO
is examined using an {\it ab initio} bound-state multireference configuration
interaction approach. The resulting resonance has symmetry;
the higher vibrational levels of this resonance state coincide with, or are
nearly coincident with, levels of the parent state. Collisional
relaxation to the lowest vibrational levels in hot plasma situations might
yield the possibility of a long-lived CO state.Comment: Revtex file + postscript file for one figur
Multiphoton detachment of electrons from negative ions
A simple analytical solution for the problem of multiphoton detachment from
negative ions by a linearly polarized laser field is found. It is valid in the
wide range of intensities and frequencies of the field, from the perturbation
theory to the tunneling regime, and is applicable to the excess-photon as well
as near-threshold detachment. Practically, the formulae are valid when the
number of photons is greater than two. They produce the total detachment rates,
relative intensities of the excess-photon peaks, and photoelectron angular
distributions for the hydrogen and halogen negative ions, in agreement with
those obtained in other, more numerically involved calculations in both
perturbative and non-perturbative regimes. Our approach explains the extreme
sensitivity of the multiphoton detachment probability to the asymptotic
behaviour of the bound-state wave function. Rapid oscillations in the angular
dependence of the -photon detachment probability are shown to arise due to
interference of the two classical trajectories which lead to the same final
state after the electron emerges at the opposite sides of the atom when the
field is close to maximal.Comment: 27 pages, Latex, and PostScript figures fig1.ps, fig2.ps, fig3.ps,
accepted for publication in Phys. Rev.
Positron and positronium affinities in the work-formalism Hartree-Fock approximation
Positron binding to anions is investigated within the work formalism proposed
by Harbola and Sahni for the halide anions and the systems Li^- through O^-
excluding Be^- and N^-. The toal ground-state energies of the anion-positron
bound systems are empirically found to be an upper bound to the Hartree-Fock
energies. The computed expectation values as well as positron and positronium
affinities are in good agreement with their restricted Hartree-Fock
counterparts. Binding of a positron to neutral species is also investigated
using an iterative method.Comment: 12 pages, to appear in Physical Review
- …