1208.0226 (S. E. B. Nielsen et al.)

Local Control and v-representability of Correlated Quantum Dynamics    [PDF]

S. E. B. Nielsen, M. Ruggenthaler, R. van Leeuwen, J. Olsen

We present a local control scheme to construct the external potential v that produces a given time-dependent density in an interacting quantum many-body system from a given initial state. The resulting numerical method enables us to simultaneously investigate density-based control theory and fundamental v-representability questions in density functional theory irrespective of the initial state and the size of the density variations. In particular, in the absence of interactions, it allows us to construct the exact time-dependent Kohn-Sham potential for arbitrary initial states. We illustrate the method in a correlated one-dimensional two-electron system with different interactions, initial states and densities. For a Kohn-Sham system with a correlated initial state we demonstrate the interplay between memory and initial state dependence as well as the failure of any adiabatic approximation.

View original: http://arxiv.org/abs/1208.0226