Iva Březinová

Wave chaos as signature for depletion of a Bose-Einstein condensate

We study the expansion of repulsively interacting Bose-Einstein condensates (BECs) in shallow one-dimensional potentials. We show for these systems that the onset of wave chaos in the Gross-Pitaevskii equation (GPE), i.e. the onset of exponential separation in Hilbert space of two nearby condensate wave functions, can be used as indication for the onset of depletion of the BEC and the occupation of excited modes within a many-body description. Comparison between the multiconfigurational time-dependent Hartree for bosons (MCTDHB) method and the GPE reveals a close correspondence between the many-body effect of depletion and the mean-field effect of wave chaos for a wide range of single-particle external potentials. In the regime of wave chaos the GPE fails to account for the fine-scale quantum fluctuations because many-body effects beyond the validity of the GPE are non-negligible. Surprisingly, despite the failure of the GPE to account for the depletion, coarse grained expectation values of the single-particle density such as the overall width of the atomic cloud agree very well with the many-body simulations. The time dependent depletion of the condensate could be investigated experimentally, e.g., via decay of coherence of the expanding atom cloud.

Time-dependent complete-active-space self-consistent-field method for atoms: Application to high-order harmonic generation

We present a numerical implementation of the time-dependent complete-active-space self-consistent-field (TD-CASSCF) method [Phys. Rev. A 88, 023402 (2013)] for atoms driven by a strong linearly polarized laser pulse. The present implementation treats the problem in its full dimensionality and introduces a gauge-invariant frozen-core approximation, an efficient evaluation of the Coulomb mean field scaling linearly with the number of basis functions, and a split-operator method specifically designed for stable propagation of stiff spatial derivative operators. We apply this method to high-harmonic generation in helium, beryllium, and neon and explore the role of electron correlations.

Propagating two-particle reduced density matrices without wave functions

Describing time-dependent many-body systems where correlation effects play an important role remains a major theoretical challenge. In this paper we develop a time-dependent many-body theory that is based on the two-particle reduced density matrix (2-RDM). We develop a closed equation of motion for the 2-RDM employing a novel reconstruction functional for the three-particle reduced density matrix (3-RDM) that preserves norm, energy, and spin symmetries during time propagation. We show that approximately enforcing

High-harmonic spectra from time-dependent two-particle reduced-density-matrix theory

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Semiclassical wave functions for open quantum billiards.

-representability during time evolution is essential for achieving stable solutions. As a prototypical test case which features long-range Coulomb interactions we employ the one-dimensional model for lithium hydride (LiH) in strong infrared laser fields. We probe both one-particle observables such as the time-dependent dipole moment and two-particle observables such as the pair density and mean electron-electron interaction energy. Our results are in very good agreement with numerically exact solutions for the

Elastic scattering of a Bose-Einstein condensate at a potential landscape

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Long-time expansion of a Bose-Einstein condensate: Observability of Anderson localization

-electron wavefunction obtained from the multiconfigurational time-dependent Hartree-Fock method.

Practical splitting methods for the adaptive integration of nonlinear evolution equations. Part II: Comparisons of local error estimation and step-selection strategies for nonlinear Schrödinger and wave equations

The accurate description of the non-linear response of many-electron systems to strong-laser fields remains a major challenge. Methods that bypass the unfavorable exponential scaling with particle number are required to address larger systems. In this paper we present a fully three-dimensional implementation of the time-dependent two-particle reduced density matrix (TD-2RDM) method for many-electron atoms. We benchmark this approach by a comparison with multi-configurational time-dependent Hartree-Fock (MCTDHF) results for the harmonic spectra of beryllium and neon. We show that the TD-2RDM is very well-suited to describe the non-linear atomic response and to reveal the influence of electron-correlation effects.

Time-Dependent Two-Particle Reduced Density Matrix Theory: Application to High-Harmonic Generation

We present a semiclassical approximation to the scattering wave function Ψ(r,k) for an open quantum billiard, which is based on the reconstruction of the Feynman path integral. We demonstrate its remarkable numerical accuracy for the open rectangular billiard and show that the convergence of the semiclassical wave function to the full quantum state is controlled by the mean path length or equivalently the dwell time for a given scattering state. In the numerical implementation a cutoff length in the maximum path length or, equivalently, a maximum dwell time τ(max) included implies a finite energy resolution ΔE~τ(max)(-1). Possible applications include leaky billiards and systems with decoherence present.

The time-dependent two-particle reduced density matrix method: LiH in strong laser fields

We investigate the elastic scattering of Bose-Einstein condensates at shallow periodic and disorder potentials. We show that the collective scattering of the macroscopic quantum object couples to internal degrees of freedom of the Bose-Einstein condensate such that the Bose-Einstein condensate gets depleted. As a precursor for the excitation of the Bose-Einstein condensate we observe wave chaos within a mean-field theory.