TIME DEPENDENT DENSITY FUNCTIONAL THEORY ... - TDDFT.org
TIME DEPENDENT DENSITY FUNCTIONAL THEORY ... - TDDFT.org
TIME DEPENDENT DENSITY FUNCTIONAL THEORY ... - TDDFT.org
- No tags were found...
You also want an ePaper? Increase the reach of your titles
YUMPU automatically turns print PDFs into web optimized ePapers that Google loves.
An overview of basic concepts in <strong>TDDFT</strong> and<br />
some new extensions<br />
Robert van Leeuwen<br />
Groningen, The Netherlands<br />
We give an overview of the underlying concepts of time-dependent density-functional theory<br />
(<strong>TDDFT</strong>). This includes an extension of the Runge-Gross theorem, the question of the invertibility<br />
of the density-density reponse function, and a discussion of the subtleties related to the action<br />
principle. We will further discuss a way to construct density-functionals that incorporate memory<br />
effects and satisfy basic conservation laws. We finally discuss a multi-component extension of<br />
<strong>TDDFT</strong> in order to treat coupled electronic and nuclear motion. This will provide a <strong>TDDFT</strong><br />
formalism that can be applied to a treatment of the electron-phonon interaction and to molecules<br />
in strong laser fields.<br />
32
Change language