arXiv subjects

Lorenz S. Cederbaum

Publications and source records attributed to Lorenz S. Cederbaum.

At least 73 records · Page 4Linked to original sources

arXiv2013

Unified view on linear response of interacting identical and distinguishable particles from multiconfigurational time-dependent Hartree methods

A unified view on linear response of interacting systems utilizing multicongurational time-dependent Hartree methods is presented. The cases of one-particle and two-particle response operators for identical particles and up to all-system response operators for distinguishable degrees-of-freedom are considered. The working equations for systems of identical bosons (LR-MCTDHB) and identical fermions (LR-MCTDHF), as well for systems of distinguishable particles (LR-MCTDH) are explicitly derived. These linear-response theories provide numerically-exact excitation energies and system's properties, when numerical convergence is achieved in the calculations.

quant-ph↗

arXiv2013

Nuclear wave packet quantum interference in the intense laser dissociation of the $\mathrm{D}_{2}^{+}$ molecule

Recently it has been recognized that electronic conical intersections in molecular systems can be induced by laser light even in diatomics. As is known a direct consequence of these accidental degeneracies is the appearence of nonadiabatic effects which has a strong impact on the nuclear quantum dynamics. Studying the photodissociation process of the $\mathrm{D}_{2}^{+}$ molecule, we report here some novel and observable quantum interference phenomena that arise from the topological singularity induced by a strong laser field.

physics.atm-clus↗

arXiv2013

Controlled energy-selected electron capture and release in double quantum dots

Highly accurate quantum electron dynamics calculations demonstrate that energy can be efficiently transferred between quantum dots. Specifically, in a double quantum dot an incoming electron is captured by one dot and the excess energy is transferred to the neighboring dot and used to remove an electron from this dot. This process is due to long-range electron correlation and shown to be operative at rather large distances between the dots. The efficiency of the process is greatly enhanced by preparing the double quantum dot such that the incoming electron is initially captured by a two-electron resonance state of the system. In contrast to atoms and molecules in nature, double quantum dots can be manipulated to achieve this enhancement. This mechanism leads to a surprisingly narrow distribution of the energy of the electron removed in the process which is explained by resonance theory. We argue that the process could be exploited in practice.

cond-mat.mes-hall↗

arXiv2013

Excitation spectra of many-body systems by linear response: General theory and applications to trapped condensates

We derive a general linear-response many-body theory capable of computing excitation spectra of trapped interacting bosonic systems, e.g., depleted and fragmented Bose-Einstein condensates (BECs). To obtain the linear-response equations we linearize the multiconfigurational time-dependent Hartree for bosons (MCTDHB) method, which provides a self-consistent description of many-boson systems in terms of orbitals and a state vector (configurations), and is in principle numerically-exact. The derived linear-response many-body theory, which we term LR-MCTDHB, is applicable to systems with interaction potentials of general form. From the numerical implementation of the LR-MCTDHB equations and solution of the underlying eigenvalue problem, we obtain excitations beyond available theories of excitation spectra, such as the Bogoliubov-de Gennes (BdG) equations. The derived theory is first applied to study BECs in a one-dimensional harmonic potential. The LR-MCTDHB method contains the BdG excitations and, also, predicts a plethora of additional many-body excitations which are out of the realm of standard linear response. In particular, our theory describes the exact energy of the higher harmonic of the first (dipole) excitation not contained in the BdG theory. We next study a BEC in a very shallow one-dimensional double-well potential. We find with LR-MCTDHB low-lying excitations which are not accounted for by BdG, even though the BEC has only little fragmentation and, hence, the BdG theory is expected to be valid. The convergence of the LR-MCTDHB theory is assessed by systematically comparing the excitation spectra computed at several different levels of theory.

cond-mat.quant-gas↗

arXiv2013

Photoionization of hydrogen atom by coherent intense high-frequency short laser pulses: Direct propagation of electron wave packets on large spatial grids

The time-dependent Schrödinger equation for the hydrogen atom and its interaction with coherent intense high-frequency short laser pulses is solved numerically exactly by propagating the single-electron wave packets. Thereby, the wavefunction is followed in space and time for times longer than the pulse duration. Results are explicitly shown for 3 and 10 fs pulses. Particular attention is paid to identifying the effect of dynamic interference of photoelectrons emitted with the same kinetic energy at different times during the rising and falling sides of the pulse predicted in [\emph{Ph.V. Demekhin and L.S. Cederbaum}, Phys. Rev. Lett. \textbf{108}, 253001 (2012)]. In order to be able to see the dynamic interference pattern in the computed electron spectra, the photoelectron wave packet has to be propagated over long distances. Clearly, complex absorption potentials often employed to compute spectra of emitted particles cannot be used to detect dynamic interference. For the considered high-frequency pulses of 3 and 10 fs durations, this requires enormously large spatial grids. The presently computed photoionization and above-threshold ionization spectra are found to exhibit pronounced dynamic interference patterns. Where available, the patterns are in very good agreement with previously published results on the photoionization spectra which have been computed using a completely different method, thus supporting the previously made assumption that the above-threshold ionization processes are very weak for the considered pulse intensities and high carrier frequency. The quiver motion in space and time of a free electron in strong laser pulses is also investigated numerically. Finally, a discussion is presented of how fast the atom is ionized by an intense pulse.

physics.atom-ph↗

arXiv2013

A new intermolecular mechanism to selectively drive photoinduced damages

Low-energy electrons (LEEs) are known to be effective in causing strand breaks in DNA. Recent experiments show that an important direct source of LEEs is the intermolecular Coulombic decay (ICD) process. Here we propose a new cascade mechanism initiated by core excitation and terminated by ICD and demonstrate its properties. Explicit calculations show that the energies of the emitted ICD-electrons can be controlled by selecting the initial atomic excitation. The properties of the cascade may have interesting applications in the fields of electron spectroscopy and radiation damage. Initiating such a cascade by resonant X-ray absorption from a high-Z element embedded in a cancerous cell nucleus, ICD will deliver genotoxic particles \textit{locally} at the absorption site, increasing in that way the controllability of the induced damage.

physics.atm-clus↗

arXiv2012

Two trapped particles interacting by a finite-ranged two-body potential in two spatial dimensions

We examine the problem of two particles confined in an isotropic harmonic trap, which interact via a finite-ranged Gaussian-shaped potential in two spatial dimensions. We derive an approximative transcendental equation for the energy and study the resulting spectrum as a function of the interparticle interaction strength. Both the attractive and repulsive systems are analyzed. We study the impact of the potential's range on the ground-state energy. Complementary, we also explicitly verify by a variational treatment that in the zero-range limit the positive delta potential in two dimensions only reproduces the non-interacting results, if the Hilbert space in not truncated. Finally, we establish and discuss the connection between our finite-range treatment and regularized zero-range results from the literature.

cond-mat.quant-gas↗

arXiv2012

Coherent intense resonant laser pulses lead to interference in the time domain observable in the spectrum of the emitted particles

The dynamics of atomic levels resonantly coupled by a coherent and intense short high-frequency laser pulse is discussed and it is advocated that this dynamics is sensitively probed by measuring the spectra of the particles emitted. It is demonstrated that the time-envelope of this laser pulse gives rise to two waves emitted with a time delay with respect to each other at the rising and falling sides of the pulse, which interfere in the time domain. By computing numerically and analyzing explicitly analytically a show-case example of sequential two-photon ionization of an atom by resonant laser pulses, we argue that this dynamic interference should be a general phenomenon in the spectroscopy of strong laser fields. The emitted particles do not have to be photoelectrons. Our results allow also to interpret the already studied resonant Auger effect of an atom by intense free electron laser pulses, and also to envisage experiments in which photons are emitted.

physics.atm-clus↗

arXiv2012

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.

cond-mat.quant-gas↗

arXiv2012

Exact quantum dynamics of bosons with finite-range time-dependent interactions of harmonic type

The exactly solvable quantum many-particle model with harmonic one- and two-particle interaction terms is extended to include time-dependency. We show that when the external trap potential and finite-range interparticle interaction have a time-dependency the exact solutions of the corresponding time-dependent many-boson Schrödinger equation are still available. We use these exact solutions to benchmark the recently developed multiconfigurational time-dependent Hartree method for bosons (MCTDHB) [Phys. Rev. Lett. {\bf 99}, 030402 (2007), Phys. Rev. A {\bf 77}, 033613 (2008)]. In particular, we benchmark the MCTDHB method for: (i) the ground state; (ii) the breathing many-body dynamics activated by a quench scenario where the interparticle interaction strength is suddenly turned on to a finite value; (iii) the non-equilibrium dynamic for driven scenarios where both the trap- and interparticle-interaction potentials are {\it time-dependent}. Excellent convergence of the ground state and dynamics is demonstrated. The great relevance of the self-consistency and time-adaptivity, which are the intrinsic features of the MCTDHB method, is demonstrated by contrasting the MCTDHB predictions and those obtained within the standard full configuration interaction method spanning the Fock space of the same size, but utilizing as one-particle basis set the fixed-shape eigenstates of the one-particle potential. Connections of the model's results to ultra-cold Bose-Einstein condensed systems are addressed.

cond-mat.quant-gas↗

arXiv2012

Excitation spectra of fragmented condensates by linear response: General theory and application to a condensate in a double-well potential

Linear response of simple (i.e., condensed) Bose-Einstein condensates is known to lead to the Bogoliubov- de Gennes equations. Here, we derive linear response for fragmented Bose-Einstein condensates, i.e., for the case where the many-body wave function is not a product of one, but of several single-particle states (orbitals). Our approach is based on the number-conserving variational time-dependent mean field theory [O. E. Alon, A. I. Streltsov, and L. S. Cederbaum, Phys. Lett. A 362, 453 (2007)], which describes the time evolution of best-mean field states. Correspondingly, we call our linear response theory for fragmented states LR-BMF. In the derivation it follows naturally that excitations are orthogonal to the ground-state orbitals. As applications excitation spectra of Bose-Einstein condensates in double-well potentials are calculated. Both symmetric and asymmetric double-wells are studied for several interaction strengths and barrier heights. The cases of condensed and two-fold fragmented ground states are compared. Interestingly, even in such situations where the response frequencies of the two cases are computed to be close to each other, which is the situation for the excitations well below the barrier, striking differences in the density response in momentum space are found. For excitations with an energy of the order of the barrier height, both the energies and the density response of condensed and fragmented systems are very different. In fragmented systems there is a class of "swapped" excitations where an atom is transfered to the neighboring well. The mechanism of its origin is discussed. In asymmetric wells, the response of a fragmented system is purely local (i.e., finite in either one or the other well) with different frequencies for the left and right fragments.

cond-mat.quant-gas↗

arXiv2012

Kinetic Energy Release in Fragmentation Processes following Electron Emission: A time dependent approach

A time-dependent approach for the kinetic energy release (KER) spectrum is developed for a fragmentation of a diatomic molecule after an electronic decay process, e.g. Auger process. It allows one to simulate the time-resolved spectra and provides more insight into the molecular dynamics than the time-independent approach. Detailed analysis of the time-resolved emitted electron and KER spectra sheds light on the interrelation between wave packet dynamics and spectra.

physics.atom-ph↗

arXiv2012

Dynamics and symmetries of a repulsively bound atom pair in an infinite optical lattice

We investigate the dynamics of two bosons trapped in an infinite one-dimensional optical lattice potential within the framework of the Bose-Hubbard model and derive an exact expression for the wavefunction at finite time. As initial condition we chose localized atoms that are separated by a distance of $d$ lattice sites and carry a center of mass quasi-momentum. An initially localized pair ($d=0$) is found to be more stable as quantified by the pair probability (probability to find two atoms at the same lattice site) when the interaction and/or the center of mass quasi-momentum is increased. For initially separated atoms ($d \neq 0$) there exists an optimal interaction strength for pair formation. Simple expressions for the wavefunction, the pair probability and the optimal interaction strength for pair formation are computed in the limit of infinite time. Whereas the time-dependent wavefunction differs for values of the interaction strength that differ only by the sign, important observables like the density and the pair probability do not. With a symmetry analysis this behavior is shown to extend to the $N$-particle level and to fermionic systems. Our results provide a complementary understanding of the recently observed [Winkler \textit{et al.}, Nature (London) \textbf{441}, 853 (2006)] dynamical stability of atom pairs in a repulsively interacting lattice gas.

cond-mat.quant-gas↗

arXiv2012

How does an interacting many-body system tunnel through a potential barrier to open space?

The tunneling process in a many-body system is a phenomenon which lies at the very heart of quantum mechanics. It appears in nature in the form of alpha-decay, fusion and fission in nuclear physics, photoassociation and photodissociation in biology and chemistry. A detailed theoretical description of the decay process in these systems is a very cumbersome problem, either because of very complicated or even unknown interparticle interactions or due to a large number of constitutent particles. In this work, we theoretically study the phenomenon of quantum many-body tunneling in a more transparent and controllable physical system, in an ultracold atomic gas. We analyze a full, numerically exact many-body solution of the Schrödinger equation of a one-dimensional system with repulsive interactions tunneling to open space. We show how the emitted particles dissociate or fragment from the trapped and coherent source of bosons: the overall many-particle decay process is a quantum interference of single-particle tunneling processes emerging from sources with different particle numbers taking place simultaneously. The close relation to atom lasers and ionization processes allows us to unveil the great relevance of many-body correlations between the emitted and trapped fractions of the wavefunction in the respective processes.

cond-mat.quant-gas↗

arXiv2011

Recursive formulation of the multiconfigurational time-dependent Hartree method for fermions, bosons and mixtures thereof in terms of one-body density operators

The multiconfigurational time-dependent Hartree method (MCTDH) [Chem. Phys. Lett. {\bf 165}, 73 (1990); J. Chem. Phys. {\bf 97}, 3199 (1992)] is celebrating nowadays entering its third decade of tackling numerically-exactly a broad range of correlated multi-dimensional non-equilibrium quantum dynamical systems. Taking in recent years particles' statistics explicitly into account, within the MCTDH for fermions (MCTDHF) and for bosons (MCTDHB), has opened up further opportunities to treat larger systems of interacting identical particles, primarily in laser-atom and cold-atom physics. With the increase of experimental capabilities to simultaneously trap mixtures of two, three, and possibly even multiple kinds of interacting composite identical particles together, we set up the stage in the present work and specify the MCTDH method for such cases. Explicitly, the MCTDH method for systems with three kinds of identical particles interacting via all combinations of two- and three-body forces is presented, and the resulting equations-of-motion are briefly discussed. All four possible mixtures of fermions and bosons are presented in a unified manner. Particular attention is paid to represent the coefficients' part of the equations-of-motion in a compact recursive form in terms of one-body density operators only. The recursion utilizes the recently proposed Combinadic-based mapping for fermionic and bosonic operators in Fock space [Phys. Rev. A {\bf 81}, 022124 (2010)] and successfully applied and implemented within MCTDHB. Our work sheds new light on the representation of the coefficients' part in MCTDHF and MCTDHB without resorting to the matrix elements of the many-body Hamiltonian with respect to the time-dependent configurations. It suggests a recipe for efficient implementation of the schemes derived here for mixtures which is suitable for parallelization.

quant-ph↗

arXiv2011

Number fluctuations of cold spatially split bosonic objects

We investigate the number fluctuations of spatially split many-boson systems employing a theorem about the maximally and minimally attainable variances of an observable. The number fluctuations of many-boson systems are given for different numbers of lattice sites and both mean-field and many-body wave functions. It is shown which states maximize the particle number fluctuations, both in lattices and double-wells. The fragmentation of the states is discussed, and it is shown that the number fluctuations of some fragmented states are identical to those of fully condensed states.

cond-mat.quant-gas↗

arXiv2011

Interrelation between the distributions of kinetic energy release and emitted electron energy following a decay of electronic states

In an electronic decay process followed by fragmentation the kinetic energy release and electron spectra can be measured. Classically they are the mirror image of each other, a fact which is often used in practice. Quantum expressions are derived for both spectra and analyzed. It is demonstrated that these spectra carry complementary quantum information and are related to the nuclear dynamics in different participating electronic states. Illustrative examples show that the classical picture of mirror image can break down and shed light on the underlying physics.

quant-ph↗

arXiv2011

Exploring Interatomic Coulombic Decay by Free Electron Lasers

To exploit the high intensity of laser radiation, we propose to select frequencies at which single-photon absorption is of too low energy and two or more photons are needed to produce states of an atom that can undergo interatomic Coulombic decay (ICD) with its neighbors. For Ne dimer it is explicitly demonstrated that the proposed scheme to investigate interatomic processes by multiphoton absorption is much more efficient than with single-photon absorption of sufficiently large frequency as used until now. Extensive calculations on Ne dimer including all the involved nuclear dynamics and the losses by ionization of the participating states show how the low-energy ICD electrons and Ne$^+$ pairs are produced for different laser intensities and pulse durations. At higher intensities the production of Ne$^+$ pairs by successive ionization of the two atoms becomes competitive and the respective emitted electrons interfere coherently with the ICD electrons. It is also demonstrated that a measurement after a time delay can be used to determine the contribution of ICD even at high laser intensity.

physics.atm-clus↗