Heidelberg 2015 – scientific programme

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A: Fachverband Atomphysik

A 16: Interaction with strong or short laser pulses I

A 16.5: Talk

Tuesday, March 24, 2015, 15:30–15:45, C/kHS

Exact correlated electron dynamics in full dimensionality: Applying time-dependent renormalized-natural-orbital theory (TDRNOT) to 3D He — •Julius Rapp, Martins Brics, and Dieter Bauer — Universität Rostock, Germany

A numerically affordable exact two-body scheme is desirable not only for describing driven He but any process where the single-active-electron picture breaks down due to two-body correlations.

In this talk we discuss the conceptual challenges when applying the recently introduced [1-3] TDRNOT scheme to He in full dimensionality. After expanding both the natural orbitals and their effective potentials in spherical harmonics we find that compared to the 1D-model case additional degeneracies in the occupation numbers can occur. As a result, one has to employ a suitable propagation scheme that is capable of handling these possible degeneracies. Moreover, we present several techniques to keep the numerical effort manageable. Finally, the practicability of TDRNOT implemented on a desktop computer for the exact treatment of both electrons in 3D He, subject to a strong laser field, is analyzed.

 
[1] M. Brics and 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).