Search results for "spectrum"
showing 10 items of 2043 documents
Ultra-nonlocality in density functional theory for photo-emission spectroscopy.
2014
We derive an exact expression for the photo-current of photo-emission spectroscopy using time-dependent current density functional theory (TDCDFT). This expression is given as an integral over the Kohn-Sham spectral function renormalized by effective potentials that depend on the exchange-correlation kernel of current density functional theory. We analyze in detail the physical content of this expression by making a connection between the density-functional expression and the diagrammatic expansion of the photo-current within many-body perturbation theory. We further demonstrate that the density functional expression does not provide us with information on the kinetic energy distribution of…
Spectral Analysis of Nonrelativistic Quantum Electrodynamics
2001
I review the research results on spectral properties of atoms and molecules coupled to the quantized electromagnetic field or on simplified models of such systems obtained during the past decade. My main focus is on the results I have obtained in collaboration with Jurg Frohlich and Israel Michael Sigal [8, 9, 10, 11, 12, 13].
Mobile Phone Chips Reduce Increases in EEG Brain Activity Induced by Mobile Phone-Emitted Electromagnetic Fields
2018
Recent neurophysiological studies indicate that exposure to electromagnetic fields (EMFs) generated by mobile phone radiation can exert effects on brain activity. One technical solution to reduce effects of EMFs in mobile phone use is provided in mobile phone chips that are applied to mobile phones or attached to their surfaces. To date, there are no systematical studies on the effects of mobile phone chip application on brain activity and the underlying neural mechanisms. The present study investigated whether mobile phone chips that are applied to mobile phones reduce effects of EMFs emitted by mobile phone radiation on electroencephalographic (EEG) brain activity in a laboratory study. T…
A deep study of the high–energy transient sky
2021
This is an open access article. This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds t…
Numerical procedures and their practical application in PV modules’ analyses. Part II: Useful fractions and APE
2019
Abstract The article regards aspects of PV modules tested with the use of natural sunlight. The analysis of spectral structure of solar energy resources in southern Poland, carried out on the basis of meteorological data originating from SolarLab PW Wroclaw and AGH Krakow, Poland [ 1 ] was used in the article. It is a continuation of the article: Analysis of solar energy resources in southern Poland for photovoltaic applications [ 1 ], describing the method to determine spectral parameters of average photon energy (APE) and useful fraction (UF) with the use of a solar radiation spectrum simulator. This article, however, includes an experimental presentation of their impact on PV conversion …
Experimental Stark broadening studies of the CI transition 3s 1 P 1o − 3p 1 S 0 at 833.5 nm
2011
AbstractExperimental Stark broadening studies of the infrared CI transition 3s 1 P 1o − 3p 1 S 0 at 833.5 nm are reported for the first time. A high-current wall-stabilized arc, operated in a mixture of helium, argon, carbon dioxide and hydrogen, was applied as the plasma source. Radiation emitted from homogeneous and optically thin plasma layers was analyzed. Stark broadening studies of the selected CI transition and the hydrogen Balmer β line were performed. As expected from theoretical considerations, the CI line width depends linearly on the electron density of the plasma. Applying theoretical Stark broadening data for the Hgb line, the measured Stark widths of the CI line were calibrat…
Residual strain effects on the two-dimensional electron gas concentration of AlGaN/GaN heterostructures
2001
Ga-face AlGaN/GaN heterostructures with different sheet carrier concentrations have been studied by photoluminescence and Raman spectroscopy. Compared to bulk GaN, an energy shift of the excitonic emission lines towards higher energies was observed, indicating the presence of residual compressive strain in the GaN layer. This strain was confirmed by the shift of the E2 Raman line, from which biaxial compressive stresses ranging between 0.34 and 1.7 GPa were deduced. The spontaneous and piezoelectric polarizations for each layer of the heterostructures have been also calculated. The analysis of these quantities clarified the influence of the residual stress on the sheet electron concentratio…
Oxygen K-shell spectroscopy of isolated progressively solvated peptide
2020
Gas-phase near-edge X-ray-absorption fine structure (NEXAFS) action spectroscopy around the oxygen K-edge and mass spectrometry were employed to probe isolated substance P (SP) molecular ions, both bare and progressively solvated with 4 and 11 water molecules. Detailed mass spectra of bare and hydrated precursors are presented for the resonant photon energy of 532 eV that corresponds to O1s --> pi(amide)* core excitation, triggering resonant Auger decay and fragmentation from the ionized radical molecular system. The fragmentation pattern of doubly protonated SP hydrated with 4 water molecules clearly shows a series of abundant doubly charged backbone fragments, as well as triply charged pr…
Structural and vibrational study of the tautomerism of histamine free-base in solution.
2003
Infrared and Raman spectroscopy in H(2)O and D(2)O and quantum Density Functional calculations were used to determine the structure of histamine free-base in aqueous solution. A quantum mechanical study of the tautomeric equilibrium of histamine free-base in solution was performed at the 6-311G level. Electronic correlation energies were included by using the hybrid functional B3LYP. The solvent was simulated as a continuum characterized by a dielectric constant, and the quantum system (solute) was placed in an ellipsoidal cavity. Solute-solvent electrostatic interaction was calculated by means a multipolar moment expansion introduced in the Hamiltonian. Four relevant histamine conformation…
The VN2 negatively charged defect in diamond. A quantum mechanical investigation of the EPR response
2020
Abstract The VN 2 − defect in diamond consists of a vacancy surrounded by two substitutional nitrogen atoms, which lower the local symmetry from Td to C2v. Calculations of the doublet ground state geometry, electronic structure, EPR parameters, and IR spectra of this defect are reported along with a preliminary investigation of the observed optical transition. For the most part our results were obtained using a uniform charge compensated supercell approach together with the B3LYP functional and all-electron Gaussian basis sets designed for the properties studied. In particular, the computed hyperfine and quadrupolar EPR parameters for the carbon and nitrogen atoms adjacent to the vacancy ag…