Part of the Lecture Notes in Physics book series (LNP, volume 837)
On the Combination of TDDFT with Molecular Dynamics: New Developments
In principle, we should not need the time-dependent extension of density-functional theory (TDDFT) for excitations.
KeywordsMolecular Dynamic Electronic Excited State Adiabatic Basis Ground State Potential Energy Surface Equilibrium Density Matrix
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.
© Springer-Verlag Berlin Heidelberg 2012