Heidelberg 2015 – wissenschaftliches Programm
A 20.7: Vortrag
Mittwoch, 25. März 2015, 12:45–13:00, C/HSW
Description of the hydrogen molecular ion with time-dependent renormalized-natural-orbital theory — •Adrian Hanusch, Julius Rapp, Martins Brics, and Dieter Bauer — Institut für Physik, Universität Rostock, 18051 Rostock, Germany
Time-dependent natural-orbital theory is a promising approach to overcome the “exponential wall” in solving time-dependent many-body quantum problems numerically. Time-dependent renormalized-natural-orbital theory (TDRNOT) has already proven good performance using an exactly solvable 1D Helium model atom. Highly correlated phenomena — not accessible via practicable time-dependent density functional theory — have been successfully described with TDRNOT [1-3]. In this work, we extend TDRNOT to investigate the hydrogen molecular ion exactly, i.e., beyond the Born-Oppenheimer approximation, and in intense laser fields. The correlation between electron and nuclear degree of freedom is taken into account by considering electronic and nuclear natural orbitals, and their coupling.
 M. Brics, D. Bauer, Phys. Rev. A 88, 052514 (2013).
 J. Rapp, M. Brics, D. Bauer Phys. Rev. A 90, 012518 (2014).
 M. Brics, J. Rapp, D. Bauer, Phys. Rev. A 90, 053418 (2014).