349 research outputs found
On the kinks and dynamical phase transitions of alpha-helix protein chains
Heuristic insights into a physical picture of Davydov's solitonic model of
the one-dimensional protein chain are presented supporting the idea of a
non-equilibrium competition between the Davydov phase and a complementary,
dynamical- `ferroelectric' phase along the chainComment: small latex file with possible glue problems, just go on !, no
figures, small corrections with respect to the published text, follow-up work
to cond-mat/9304034 [PRE 47 (June 1993) R3818
The role of occupied d states in the relaxation of hot electrons in Au
We present first-principles calculations of electron-electron scattering
rates of low-energy electrons in Au. Our full band-structure calculations
indicate that a major contribution from occupied d states participating in the
screening of electron-electron interactions yields lifetimes of electrons in Au
with energies of above the Fermi level that are larger than
those of electrons in a free-electron gas by a factor of . This
prediction is in agreement with a recent experimental study of ultrafast
electron dynamics in Au(111) films (J. Cao {\it et al}, Phys. Rev. B {\bf 58},
10948 (1998)), where electron transport has been shown to play a minor role in
the measured lifetimes of hot electrons in this material.Comment: 4 pages, 2 figures, to appear in Phys. Rev.
From policy to practice: exploring practitioners' perspectives on social enterprise policy claims
Hole dynamics in noble metals
We present a detailed analysis of hole dynamics in noble metals (Cu and Au),
by means of first-principles many-body calculations. While holes in a
free-electron gas are known to live shorter than electrons with the same
excitation energy, our results indicate that d-holes in noble metals exhibit
longer inelastic lifetimes than excited sp-electrons, in agreement with
experiment. The density of states available for d-hole decay is larger than
that for the decay of excited electrons; however, the small overlap between d-
and sp-states below the Fermi level increases the d-hole lifetime. The impact
of d-hole dynamics on electron-hole correlation effects, which are of relevance
in the analysis of time-resolved two-photon photoemission experiments, is also
addressed.Comment: 4 pages, 2 figures, to appear in Phys. Rev. Let
Electron-lattice relaxation, and soliton structures and their interactions in polyenes
Density matrix renormalisation group calculations of a suitably parametrised
model of long polyenes (polyacetylene oligomers), which incorporates both long
range Coulomb interactions and adiabatic lattice relaxation, are presented. The
triplet and 2Ag states are found to have a 2-soliton and 4-soliton form,
respectively, both with large relaxation energies. The 1Bu state forms an
exciton-polaron and has a very small relaxation energy. The relaxed energy of
the 2Ag state lies below that of the 1Bu state. The soliton/anti-soliton pairs
are bound.Comment: RevTeX, 5 pages, 4 eps figures included using epsf. To appear in
Physical Review Letters. Fig. 1 fixed u
Coordinate-Space Hartree-Fock-Bogoliubov Description of Superfluid Fermi Systems
Properties of strongly interacting, two-component finite Fermi systems are
discussed within the recently developed coordinate-space
Hartree-Fock-Bogoliubov (HFB) code {\hfbax}. Two illustrative examples are
presented: (i) weakly bound deformed Mg isotopes, and (ii) spin-polarized
atomic condensates in a strongly deformed harmonic trap.Comment: 4 pages, 2 figures, ENAM 2008 conference proceedings (EPJA
Excited states of linear polyenes
We present density matrix renormalisation group calculations of the Pariser-
Parr-Pople-Peierls model of linear polyenes within the adiabatic approximation.
We calculate the vertical and relaxed transition energies, and relaxed
geometries for various excitations on long chains. The triplet (3Bu+) and even-
parity singlet (2Ag+) states have a 2-soliton and 4-soliton form, respectively,
both with large relaxation energies. The dipole-allowed (1Bu-) state forms an
exciton-polaron and has a very small relaxation energy. The relaxed energy of
the 2Ag+ state lies below that of the 1Bu- state. We observe an attraction
between the soliton-antisoliton pairs in the 2Ag+ state. The calculated
excitation energies agree well with the observed values for polyene oligomers;
the agreement with polyacetylene thin films is less good, and we comment on the
possible sources of the discrepencies. The photoinduced absorption is
interpreted. The spin-spin correlation function shows that the unpaired spins
coincide with the geometrical soliton positions. We study the roles of
electron-electron interactions and electron-lattice coupling in determining the
excitation energies and soliton structures. The electronic interactions play
the key role in determining the ground state dimerisation and the excited state
transition energies.Comment: LaTeX, 15 pages, 9 figure
Analytical solutions to the third-harmonic generation in trans-polyacetylene: Application of dipole-dipole correlation on the single electron models
The analytical solutions for the third-harmonic generation (THG) on infinite
chains in both Su-Shrieffer-Heeger (SSH) and Takayama-Lin-Liu-Maki (TLM) models
of trans-polyacetylene are obtained through the scheme of dipole-dipole ()
correlation. They are not equivalent to the results obtained through static
current-current () correlation or under polarization operator
. The van Hove singularity disappears exactly in the analytical forms,
showing that the experimentally observed two-photon absorption peak (TPA) in
THG may not be directly explained by the single electron models.Comment: 10 pages, 4 figures, submitted to Phys. Rev.
E‐transparency and government budgetary corruption: A social marketing and transformation case from Nigeria
This article shows how Information and Communication Technology (ICT), incorporating social media, can lead to accountability and transparency in a government's budget. Specifically, it examined how a Non-Governmental Organization (NGO) used ICT to foster citizenship engagement in the Nigerian government budgetary process. The article, using abductive reasoning, presents four citizen empowerment stages and four social marketing transition stages through which government budget transparency can be improved and corruption reduced. A model was also inferred that can help lessen the exclusivity around the government budget to encourage dialog and openness around the government budget in similar contexts. Furthermore, this article shows that the social transformative role for NGOs using ICT to increase government budget transparency and reduce corruption is a process that happens over time
Modeling community integration in workers with delayed recovery from mild traumatic brain injury
Background: Delayed recovery in persons after mild traumatic brain injury (mTBI) is poorly understood. Community integration (CI) is endorsed by persons with neurological disorders as an important outcome. We aimed to describe CI and its associated factors in insured Ontario workers with delayed recovery following mTBI.
Methods: A cross-sectional study of insured workers in the chronic phase following mTBI was performed at a rehabilitation hospital in Ontario, Canada. Sociodemographic, occupational, injury-related, clinical, and claim-related data were collected from self-reports, medical assessments, and insurers’ referral files. Community Integration Questionnaire (CIQ) scores were compared using analysis of variance or Spearman’s correlation tests. Stepwise multivariable linear regression models were used to evaluate the associations with CI.
Results: Ninety-four workers with mTBI (45.2 ± 9.9 years old, 61.2 % male) at 197 days post-injury (interquartile range, 139–416 days) were included. The CIQ total and subscale scores were similar to those reported in more severe TBI samples. The CIQ scores were moderately to strongly correlated with various sociodemographic, claim-related, and clinical variables. In the multivariable regression analysis, several covariates accounted for 36.4 % of the CIQ variance in the final fully adjusted model.
Discussion: This study evaluated CI in workers with mTBI, and analyzed its associated variables. Analysis revealed insomnia, head or neck pain, being married or in a relationship, time since injury, and a diagnosis of possible/probable malingering were independently associated with limited CI.
Conclusions: Workers with delayed recovery from mTBI experience difficulty with CI. Insomnia is a particularly relevant covariate, explaining the greater part of its variance. To enhance participation, care should focus on clinical and non-clinical covariates
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