References

www.geosci-model-dev-discuss.net/7/5141/2014/ doi:10.5194/gmdd-7-5141-2014 © Author(s) 2014. CC Attribution 3.0 License. This discussion paper is/has been under review for the journal Geoscientific Model Development (GMD). Please refer to the corresponding final paper in GMD if available. A global finite-element shallow-water model supporting continuous and discontinuous element

Molecular effects in the ionization of N2_2, O2_2 and F2_2 by intense laser fields

In this paper we study the response in time of N$_2$, O$_2$ and F$_2$ to laser pulses having a wavelength of 390nm. We find single ionization suppression in O$_2$ and its absence in F$_2$, in accordance with experimental results at $\lambda = 800$nm. Within our framework of time-dependent density functional theory we are able to explain deviations from the predictions of Intense-Field Many-Body $S$-Matrix Theory (IMST). We confirm the connection of ionization suppression with destructive interference of outgoing electron waves from the ionized electron orbital. However, the prediction of ionization suppression, justified within the IMST approach through the symmetry of the highest occupied molecular orbital (HOMO), is not reliable since it turns out that, e.g. in the case of F$_2$, the electronic response to the laser pulse is rather complicated and does not lead to dominant depletion of the HOMO. Therefore, the symmetry of the HOMO is not sufficient to predict ionization suppression. However, at least for F$_2$, the symmetry of the dominantly ionized orbital is consistent with the non-suppression of ionization.Comment: 19 pages, 5 figure

Momentum space tomographic imaging of photoelectrons

We apply tomography, a general method for reconstructing 3-D distributions from multiple projections, to reconstruct the momentum distribution of electrons produced via strong field photoionization. The projections are obtained by rotating the electron distribution via the polarization of the ionizing laser beam and recording a momentum spectrum at each angle with a 2-D velocity map imaging spectrometer. For linearly polarized light the tomographic reconstruction agrees with the distribution obtained using an Abel inversion. Electron tomography, which can be applied to any polarization, will simplify the technology of electron imaging. The method can be directly generalized to other charged particles.Comment: Accepted by J. Phys.

Anisotropic splitting of intersubband spin plasmons in quantum wells with bulk and structural inversion asymmetry

In semiconductor heterostructures, bulk and structural inversion asymmetry and spin-orbit coupling induce a k-dependent spin splitting of valence and conduction subbands, which can be viewed as being caused by momentum-dependent crystal magnetic fields. This paper studies the influence of these effective magnetic fields on the intersubband spin dynamics in an asymmetric n-type GaAs/AlGaAs quantum well. We calculate the dispersions of intersubband spin plasmons using linear response theory. The so-called D'yakonov-Perel' decoherence mechanism is inactive for collective intersubband excitations, i.e., crystal magnetic fields do not lead to decoherence of spin plasmons. Instead, we predict that the main signature of bulk and structural inversion asymmetry in intersubband spin dynamics is a three-fold, anisotropic splitting of the spin plasmon dispersion. The importance of many-body effects is pointed out, and conditions for experimental observation with inelastic light scattering are discussed.Comment: 8 pages, 6 figure

About possible contribution of intrinsic charm component to inclusive spectra of charmed mesons

We calculate differential energy spectra ($x_F$-distributions) of charmed particles produced in proton-nucleus collisions, assuming the existence of intrinsic heavy quark components in the proton wave function. For the calculation, the recently proposed factorization scheme is used, based on the Color Glass Condensate theory and specially suited for predictions of a production of particles with large rapidities. It is argued that the intrinsic charm component can, if it exists, dominate in a sum of two components, intrinsic + extrinsic, of the inclusive spectrum of charmed particles produced in proton-nucleus collisions at high energies, in the region of medium $x_F$, $0.15 < x_F < 0.7$, and can give noticeable contribution to atmospheric fluxes of prompt muons and neutrinos.Comment: 10 pages, 4 figures. Version published in J. Phys. G

Time-dependent density-functional theory for ultrafast interband excitations

We formulate a time-dependent density functional theory (TDDFT) in terms of the density matrix to study ultrafast phenomena in semiconductor structures. A system of equations for the density matrix components, which is equivalent to the time-dependent Kohn-Sham equation, is derived. From this we obtain a TDDFT version of the semiconductor Bloch equations, where the electronic many-body effects are taken into account in principle exactly. As an example, we study the optical response of a three-dimensional two-band insulator to an external short-time pulsed laser field. We show that the optical absorption spectrum acquires excitonic features when the exchange-correlation potential contains a $1/q^{2}$ Coulomb singularity. A qualitative comparison of the TDDFT optical absorption spectra with the corresponding results obtained within the Hartree-Fock approximation is made

Long-term changes in pharyngeal airway dimensions following activator-headgear and fixed appliance treatment

The aim of this study was to evaluate changes in the pharyngeal airway in growing children and adolescents and to compare these with a group of children who received activator-headgear Class II treatment. The sample consisted of 64 children (32 males and 32 females), 32 had a combined activator-headgear appliance for at least 9 months (study group) followed by fixed appliance therapy in most patients, while the other half received only minor orthodontic treatment (control group). Lateral cephalograms before treatment (T1, mean age 10.4 years), at the end of active treatment (T2, mean age 14.5 years), and at the long-term follow-up (T3, mean age 22.1 years) were traced and digitized. To reveal the influence of somatic growth, body height measurements were also taken into consideration. A two-sample t-test was applied in order to determine differences between the groups. At T1, the study group had a smaller pharynx length (P = 0.030) and a greater ANB angle (P < 0.001) than the controls. The pharyngeal area and the smallest distance between the tongue and the posterior pharyngeal wall also tended to be smaller in the study group. During treatment (T1-T2), significant growth differences between the two groups were present: the study group had a greater reduction in ANB (P < 0.001) and showed a greater increase in pharyngeal area (P = 0.007), pharyngeal length (P < 0.001) and the smallest distance between the tongue and the posterior pharyngeal wall (P = 0.038). At T2, the values for the study group were similar to those of the control group and remained stable throughout the post-treatment interval (T2-T3). Activator-headgear therapy has the potential to increase pharyngeal airway dimensions, such as the smallest distance between the tongue and the posterior pharyngeal wall or the pharyngeal area. Importantly, this increase seems to be maintained long term, up to 22 years on average in the present study. This benefit may result in a reduced risk of developing long-term impaired respiratory functio

Spin gaps and spin-flip energies in density-functional theory

Energy gaps are crucial aspects of the electronic structure of finite and extended systems. Whereas much is known about how to define and calculate charge gaps in density-functional theory (DFT), and about the relation between these gaps and derivative discontinuities of the exchange-correlation functional, much less is know about spin gaps. In this paper we give density-functional definitions of spin-conserving gaps, spin-flip gaps and the spin stiffness in terms of many-body energies and in terms of single-particle (Kohn-Sham) energies. Our definitions are as analogous as possible to those commonly made in the charge case, but important differences between spin and charge gaps emerge already on the single-particle level because unlike the fundamental charge gap spin gaps involve excited-state energies. Kohn-Sham and many-body spin gaps are predicted to differ, and the difference is related to derivative discontinuities that are similar to, but distinct from, those usually considered in the case of charge gaps. Both ensemble DFT and time-dependent DFT (TDDFT) can be used to calculate these spin discontinuities from a suitable functional. We illustrate our findings by evaluating our definitions for the Lithium atom, for which we calculate spin gaps and spin discontinuities by making use of near-exact Kohn-Sham eigenvalues and, independently, from the single-pole approximation to TDDFT. The many-body corrections to the Kohn-Sham spin gaps are found to be negative, i.e., single particle calculations tend to overestimate spin gaps while they underestimate charge gaps.Comment: 11 pages, 1 figure, 3 table

C60_{60} in intense femtosecond laser pulses: nonlinear dipole response and ionization

We study the interaction of strong femtosecond laser pulses with the C$_{60}$ molecule employing time-dependent density functional theory with the ionic background treated in a jellium approximation. The laser intensities considered are below the threshold of strong fragmentation but too high for perturbative treatments such as linear response. The nonlinear response of the model to excitations by short pulses of frequencies up to 45eV is presented and analyzed with the help of Kohn-Sham orbital resolved dipole spectra. In femtosecond laser pulses of 800nm wavelength ionization is found to occur multiphoton-like rather than via excitation of a ``giant'' resonance.Comment: 14 pages, including 1 table, 5 figure