Semiclassical Correlation in Time-Dependent Density Matrix Functional Theory

Ryan Requist, Oleg Pankratov

Kieron Burke, Diego J. Carrascal, Jaime Ferrer +1 more

Arun K. Rajam, Izabela Raczkowska, Neepa T. Maitra

Lack of memory (locality in time) is a major limitation of almost all present time-dependent density-functional approximations. By using semiclassical dynamics to compute correlation effects in the time propagation of the density matrix, we incorporate memory, including initial-state dependence, as well as changing occupation numbers, and predict more observables in strong-field applications.

Jack Kuipers, Martin Sieber

We derive semiclassical periodic orbit expansions for a correlation function of the Wigner time delay. We consider the Fourier transform of the two-point correlation function, the form factor $K(τ,x,y,M)$, that depends on the number of open channels $M$, a non-symmetry breaking parameter $x$, and a symmetry breaking parameter $y$. Several terms in the Taylor expansion about $τ=0$, which depend on all parameters, are shown to be identical to those obtained from Random Matrix Theory.

Klaas J. H. Giesbertz, O. V. Gritsenko, Evert Jan Baerends

Luis Cort