Mainz 2017 – wissenschaftliches Programm

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A: Fachverband Atomphysik

A 26: Poster Session II

A 26.44: Poster

Mittwoch, 8. März 2017, 17:00–19:00, P OG1

Pros and cons of time-dependent renormalized-natural-orbital theory — •Martins Brics, Julius Rapp, and Dieter Bauer — Institut für Physik, Universität Rostock, 18051 Rostock, Germany

Recently introduced time-dependent renormalized-natural-orbital theory (TDRNOT) is a promising approach to describe correlated electron quantum dynamics, even beyond linear response. It has been shown [1-4] that TDRNOT is capable of describing correlated phenomena such as doubly excited states, autoionization, and Fano profiles in absorption and photoelectron spectra, nonsequential double ionization, single photon double ionization, high-harmonic generation and Rabi oscillations.

In this work, we compare how TDRNOT performs against standard methods such us multiconfiguration time-dependent Hartree-Fock (MCTDHF). The main focus is the truncation error, which is a consequence of the fact that numerical calculations necessarily require a truncation of the number of natural orbitals/configurations.

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

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

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

[4] M. Brics, J. Rapp, and D. Bauer, Phys. Rev. A 93, 013404 (2016).