相关论文: The optical absorption spectra of V centers in def…
Recent synthetic studies on the organic molecules tetracene and pentacene have found certain dimers and oligomers to exhibit an intense absorption in the visible region of the spectrum which is not present in the monomer or many…
We have performed first-principles calculations to study optical absorption spectra of doped graphene with many-electron effects included. Both self-energy corrections and electron-hole interactions are reduced due to the enhanced screening…
Magneto-Optical Traps have been used for several decades. Among fundamental mechanisms occuring in such traps, the magnitude of the multiple scattering is still unclear. Indeed, many experimental situations cannot be modeled easily,…
The linear optical absorption spectra in neutral boron cluster B$_{6}$ and cationic B$_{6}^{+}$ are calculated using a first principles correlated electron approach. The geometries of several low-lying isomers of these clusters were…
The low-frequency magneto-optical absorption spectra of bilayer Bernal graphene are studied within the tight-binding model and gradient approximation. The interlayer interactions strongly affect the electronic properties of the Landau…
By means of density functional theory we have undertaken a structural, electronic and magnetic survey of the adsorption of the Fe_xPt_y(x,y=<4) clusters on MgO (001) surface under the generalized gradient approximation. We have tested…
A comprehensive description of the optical cycle of spin defects in solids requires the understanding of the electronic and atomistic structure of states with different spin multiplicity, including singlet states which are particularly…
The acoustic properties of a porous sheet of medium resistivity backed by a rigid plate in which are embedded a periodic set of circular inclusions is investigated. Such a structure behaves like a multi-component diffraction gratings.…
Enhanced optical absorption of molecules in the vicinity of metallic nanostructures is key to a number of surface-enhanced spectroscopies and of great general interest to the fields of plasmonics and nano-optics. Yet, experimental access to…
We present a comparison between Fe K-edge x-ray absorption spectra of carbonmonoxy-myoglobin and its simulation based on density-functional theory determination of the structure and vibrations and spectral simulation with…
We present a new calculation of the intergalactic gamma-ray absorption coefficient as a function of both energy and redshift. In reexamining this problem, we make use of a new, empirically based calculation (as opposed to previous model…
The first principles density functional theory (DFT) is applied to study effects of molecular adsorption on optical losses of silver (111) surface. The ground states of the systems including water, methanol, and ethanol molecules adsorbed…
We have calculated the absorption characteristics of different hybrid systems consisting of Ag, Ag2 or Ag3 atomic clusters and poly(methacrylic acid) (PMAA) using the time-dependent density-functional theory. The polymer is found to have an…
Optical absorption spectra of poly(thiophene vinylene) (PTV) conjugated polymers have been studied at room temperature in the spectral range of 450 to 800 nm. A dominant peak located at 577 nm and a prominent shoulder at 619 nm are…
The dielectric function of alpha'-Na(1-x)Ca(x)V2O5 (0 < x < 20%) was measured for the a and b axes in the photon energy range 0.8-4.5 eV at room temperature. By varying the Ca-concentration we control the relative abundancy of V4+ and V5+.…
On the basis of the perturbation formulas for a $d^{1}$ configuration ion in a tetragonal crystal field, the three optical absorption bands and electron paramagnetic resonance (EPR) parameters ($g$ factors $g_{i}$ and hyperfine structure…
Absorption spectra of liquid water at 300 K are calculated from both classical and density functional theory molecular dynamics simulation data, which together span from 1 MHz to hundreds of THz, agreeing well with experimental data…
We present ultrafast transient absorption spectra of two oligofluorene derivatives in dilute solution. These spectra display clear vibronic structure, which we analyze rigorously using a time-dependent formalism of absorption to extract the…
Color centers in silicon are emerging as promising platforms for quantum technologies. Among them, the G center has attracted considerable interest owing to its bright telecom O-band single-photon emission and its optically addressable…
The absorption of large bipolarons is investigated using the path-integral method. The response of a bipolaron to an external electromagnetic field is derived in the framework of the memory-function approach. The bipolaron optical…