We present ab initio absorption spectra of six three-dimensional semiconductors and insulators calculated using Gaussian-based periodic equation-of-motion coupled-cluster theory with single double excitations (EOM-CCSD). The are efficiently by solving a system linear equations at each frequency, giving access to an energy range tens electronvolts without explicit enumeration excited states. ass...

Ionic motion through an open ion channel is analyzed within the framework of selfconsistent Brownian dynamics. A novel conceptual model in which the ions motion is coupled to the vibrations of the pore walls is introduced. The model allows to include into simulations an important additional mechanism of energy dissipation and the effects of self-induced strong modulation of the channel conducti...

We numerically integrate the semiclassical equations of motion for spherically symmetric Einstein-Maxwell theory with a dilaton coupled scalar field and look for zero temperature configurations. The solution we find is studied in detail close to the horizon and comparison is made with the corresponding one in the minimally coupled case. Email: [email protected] Email: [email protected] 1

H-transfer was studied in the complex kinetic cascade of dihydrofolate reductase. Intrinsic kinetic isotope effects, their temperature dependence, and other temperature-dependent parameters indicated H-tunneling, but no 1 degrees to 2 degrees coupled motion. The data also suggested environmentally coupled tunneling and commitment to catalysis on pre-steady-state isotope effects.

The coupling coefficients of two parallel metal-insulator-metal (MIM) plasmonic waveguides are investigated using the analysis of the coupled-mode equations. The frequency characteristics of the power transmittance of a MIM waveguide coupled with a resonant cavity are studied and compared with the simulation results obtained from the FDTD method into which motion equations of free electrons are...

The coupling coefficients of two parallel metal-insulator-metal (MIM) plasmonic waveguides are investigated using the analysis of the coupled-mode equations. The frequency characteristics of the power transmittance of a MIM waveguide coupled with a resonant cavity are also studied and compared with the simulation results obtained from the FDTD method into which motion equations of free electron...

In the present investigation, the magnetohydrodynamic Falkner-Skan flow of tangent hyperbolic nanofluids over a stretching/shrinking wedge with variable suction, internal heat generation/absorption and chemical reaction with activation energy have been scrutinized. Nanofluid model is composed of “Brownian motion’’ and “Thermophoresis’’. Transformed non-dimensional coupled non-linear equations a...