Correlated Electron-Ion Dynamics: quantum molecular dynamics with exchange of energy between ions and electrons

26 May 2005 (Thu), 2:30 pm - 4:00 pm

6F seminar room, Sengen site

Dr. David Bowler

NIMS-ICYS / Dept. of Physics and Astronomy, University College London

Correlated Electron-Ion Dynamics: quantum molecular dynamics with exchange of energy between ions and electrons

Correlated Electron-Ion Dynamics (CEID) is an extension of molecular dynamics that allows us to introduce in a correct manner the exchange of energy between electrons and ions. The formalism is based on a systematic approximation (Small Amplitude Moment Expansion - SAME). I will introduce the formalism and discuss two research directions: implementation with open boundaries, and application to inelastic tunneling spectroscopy. (This work was done in collaboration with A.J.Fisher(UCL), A.P.Horsfield(UCL), C.Sanchez(Queen's Univ. of Belfast) and T.Todorov(Queen's Univ. of Belfast).)

Dr. Yoshitaka Tateyama(館山佳尚)