Zobrazeno 1 - 10
of 643
pro vyhledávání: '"Bird, D. A."'
Autor:
Trail, J. R., Bird, D. M.
One of the goals in the development of large scale electronic structure methods is to perform calculations explicitly for a localised region of a system, while still taking into account the rest of the system outside of this region. An example of thi
Externí odkaz:
http://arxiv.org/abs/0909.5493
Publikováno v:
J. Chem. Phys. 119, 4539 (2003)
Electron-hole pair creation by an adsorbate incident on a metal surface is described using \textit{ab initio} methods. The approach starts with standard first principles electronic structure theory, and proceeds to combine classical, quantum oscillat
Externí odkaz:
http://arxiv.org/abs/0909.5501
Publikováno v:
Phys. Rev. Lett. 88, 166802 (2002)
A method is presented for calculating electron-hole pair excitation due to an incident atom or molecule interacting with a metal surface. Energy loss is described using an \textit{ab initio} approach that obtains a position-dependent friction coeffic
Externí odkaz:
http://arxiv.org/abs/0909.5496
Autor:
Trail, J. R., Bird, D. M.
Publikováno v:
Phys. Rev. B 60, 7875 (1999)
Highly accurate experimental structure factors of silicon are available in the literature, and these provide the ideal test for any \emph{ab initio} method for the construction of the all-electron charge density. In a recent paper [J. R. Trail and D.
Externí odkaz:
http://arxiv.org/abs/0909.5488
Autor:
Trail, J. R., Bird, D. M.
Publikováno v:
Phys. Rev. B 62, 16402 (2000)
The constrained electron density method of embedding a Kohn-Sham system in a substrate system (first described by P. Cortona, Phys. Rev. B {\bf 44}, 8454 (1991) and T.A. Wesolowski and A. Warshel, J. Phys. Chem {\bf 97}, 8050 (1993)) is applied with
Externí odkaz:
http://arxiv.org/abs/0909.5491
Autor:
Trail, J. R., Bird, D. M.
Publikováno v:
Phys. Rev. B 60, 7863 (1999)
A new method is presented for obtaining all-electron results from a pseudopotential calculation. This is achieved by carrying out a localised calculation in the region of an atomic nucleus using the embedding potential method of Inglesfield [J.Phys.
Externí odkaz:
http://arxiv.org/abs/0909.5490
Publikováno v:
Comp. Phys. Comm. 137, 163 (2001)
A method for the calculation of the damping rate due to electron-hole pair excitation for atomic and molecular motion at metal surfaces is presented. The theoretical basis is provided by Time Dependent Density Functional Theory (TDDFT) in the quasi-s
Externí odkaz:
http://arxiv.org/abs/0909.5495
The excitation of the electronic system induced by the adsorption of a hydrogen atom on the (111) surfaces of copper and silver is investigated using the time-dependent, mean-field Newns-Anderson model. Parameters for the model are obtained by fittin
Externí odkaz:
http://arxiv.org/abs/0804.2565
The time-dependent, mean-field Newns-Anderson model for a spin-polarised adsorbate approaching a metallic surface is solved in the wide-band limit. Equations for the time-evolution of the electronic structure of the adsorbate-metal system are derived
Externí odkaz:
http://arxiv.org/abs/cond-mat/0611249
Autor:
Abu-Zayyad, T., Belov, K., Bird, D. J., Boyer, J., Cao, Z., Catanese, M., Chen, G. F., Clay, R. W., Covault, C. E., Dai, H. Y., Dawson, B. R., Elbert, J. W., Fick, B. E., Fortson, L. F., Fowler, J. W., Gibbs, K. G., Glasmacher, M. A. K., Green, K. D., Ho, Y., Huang, A., Jui, C. C., Kidd, M. J., Kieda, D. B., Knapp, B. C., Ko, S., Larsen, C. G., Lee, W., Loh, E. C., Mannel, E. J., Matthews, J., Matthews, J. N., Newport, B. J., Nitz, D. F., Ong, R. A., Simpson, K. M., Smith, J. D., Sinclair, D., Sokolsky, P., Sommers, P., Song, C., Tang, J. K. K., Thomas, S. B., van der Velde, J., Wiencke, L. R., Wilkinson, C. R., Yoshida, S., Zhang, X. Z.
Publikováno v:
Astrophys.J. 557 (2001) 686-699
We study the spectrum and average mass composition of cosmic rays with primary energies between 10^{17} eV and 10^{18} eV using a hybrid detector consisting of the High Resolution Fly's Eye (HiRes) prototype and the MIA muon array. Measurements have
Externí odkaz:
http://arxiv.org/abs/astro-ph/0010652