Size-quantization levels of an exciton in large nanocrystals is studied theoretically. For the nanocrystal size, L, much bigger than Bohr radius, aB, level positions do not depend on aB. The correction to a small parameter aB∕L depends reflection phase from boundary. Calculation this constitutes three-body problem: electron, hole, and This calculation can be performed analytically limit when ho...

The screening of Coulomb interaction controls many-body physics in carbon nanotubes, as it tunes the range and strength force that acts on charge carriers binds electron-hole pairs into excitons. In doped tubes, effective drives competition between Luttinger liquid Wigner crystal, whereas undoped narrow-gap tubes dictates Mott or excitonic nature correlated insulator observed at low temperature...

The surface excitation spectra of the Pd(110) is analyzed in framework time-dependent density functional theory. ab initio electronic structure this included into evaluation response function using a linear approach. At small momentum transfer extrapolated energy plasmon close to electron-energy-loss-spectroscopy measurements and can be understood considering bulk Pd dielectric function. Howeve...

By combining ab initio quantum mechanics calculation and Drude model, electron temperature and lattice temperature dependent electron thermal conductivity is calculated and implemented into a multiscale model of laser material interaction, which couples the classical molecular dynamics and two-temperature model. The results indicated that the electron thermal conductivity obtained from ab initi...

The use of ab initio calculation for materials design is an interdisciplinary research that bridges between computational physics and applied physics. It will become indispensable for future generations in the 21st century where there will be a major shift in the structure of industry as industrialized societies evolve into information societies. Based on the successful application of materials...