Heidelberg 2015 – scientific programme

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A: Fachverband Atomphysik

A 20: Interaction with strong or short laser pulses II

A 20.7: Talk

Wednesday, March 25, 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.

[1] M. Brics, D. Bauer, Phys. Rev. A 88, 052514 (2013).

[2] J. Rapp, M. Brics, D. Bauer Phys. Rev. A 90, 012518 (2014).

[3] M. Brics, J. Rapp, D. Bauer, Phys. Rev. A 90, 053418 (2014).