Dissipation in quantum time dependent mean field

Slama, N. Ben; Dinh, Phuong Mai; Reinhard, P.‐G.; Suraud, E.

doi:10.1088/1742-6596/529/1/012015

Cited by 1 publication

(4 citation statements)

References 12 publications

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“…The residual interaction is, in the present study, chosen schematically as a simple zero-range force W (x, x ′ ) = W 0 δ(x − x ′ ) with W 0 = 40.8 eV which delivers realistic relaxation times [240]. Actually, we use 9 physical particles (9 hole states) complemented by a reservoir of 8 (16 or 24 give similar results) particle states.…”

Section: Stochastic Time-dependent Hartree-fockmentioning

confidence: 99%

“…It has unfortunately never been explored at full quantum level because of its complexity. It is only recently that the first calculations were performed in model systems [240] with a proper reformulation of the theory. The first results are quite promising and we will thus discuss here briefly the formalism and typical results obtained in a simple system.…”

Section: Stochastic Time-dependent Hartree-fockmentioning

confidence: 99%

“…We define the ε α i uniquely by diagonalizing the actual mean-field hamiltonian ĥα separately amongst occupied states and unoccupied states. In practice, the Dirac δ-function has to be augmented by a finite width to account for the discrete nature of spectra in finite systems [240]. The choice of τ and Ŵ also requires some caution as the scheme, being based on time-dependent perturbation theory, has to remain in the weak coupling limit as typical of standard kinetic theory.…”

Section: Stochastic Time-dependent Hartree-fockmentioning

confidence: 99%

“…Altogether, the model mimics a typical situation in clusters and molecules with a fixed external potential delivered by the ions and an energy scale typical of organic systems. The residual interaction is, in the present study, chosen schematically as a simple zero-range force W (x, x ) = W 0 δ(x − x ) with W 0 = 40.8 eV which delivers realistic relaxation times [240]. Actually, we use 9 physical particles (9 hole states) complemented by a reservoir of 8 (16 or 24 give similar results) particle states.…”

Section: Stochastic Time-dependent Hartree-fockmentioning

confidence: 99%

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Electrons as probes of dynamics in molecules and clusters: A contribution from Time Dependent Density Functional Theory

et al. 2015

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a b s t r a c tThere are various ways to analyze the dynamical response of clusters and molecules to electromagnetic perturbations. Particularly rich information can be obtained from measuring the properties of electrons emitted in the course of the excitation dynamics. Such an analysis of electron signals covers observables such as total ionization, PhotoElectron Spectra (PES), Photoelectron Angular Distributions (PAD), and ideally combined PES/PAD. It has a long history in molecular physics and was increasingly used in cluster physics as well. Recent progress in the design of new light sources (high intensity, high frequency, ultra short pulses) opens new possibilities for measurements and thus has renewed the interest on these observables, especially for the analysis of various dynamical scenarios, well beyond a simple access to electronic density of states. This, in turn, has motivated many theoretical investigations of the dynamics of electronic emission for molecules and clusters up to such a complex and interesting system as C 60 . A theoretical tool of choice is here Time-Dependent Density Functional Theory (TDDFT) propagated in real time and on a spatial grid, and augmented by a Self-Interaction Correction (SIC). This provides a pertinent, robust, and efficient description of electronic emission including the detailed pattern of PES and PAD. A direct comparison between experiments and well founded elaborate microscopic theories is thus readily possible, at variance with more demanding observables such as for example fragmentation or dissociation cross sections.The purpose of this paper is to describe the theoretical tools developed on the basis of real-time and real-space TDDFT and to address in a realistic manner the analysis of electronic emission following irradiation of clusters and molecules by various laser pulses. After a general introduction, we shall present in a second part the available experimental results motivating such studies, starting from the simplest total ionization signals to the more elaborate PES and PAD, possibly combining them and/or resolving them in time. This experimental discussion will be complemented in a third part by a presentation of available theoretical tools focusing on TDDFT and detailing the methods used to address ionization observables. We shall also discuss the shortcomings of standard versions of TDDFT, especially what concerns the SIC problem, and show how to improve formally and practically the theory on that aspect. A long fourth part will be devoted to representative * P. Wopperer et al. / Physics Reports ( ) -results. We shall illustrate the use of total ionization in pump and probe scenarios with fs lasers for tracking ionic dynamics in clusters. More challenging from the experimental point of view is pump and probe setups using attosecond pulses. The effort there is more on the capability to define proper signals to be measured/computed at such a short time scale. TDDFT analysis provides here a valuable tool in the search for the most efficient observab...

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Section: Stochastic Time-dependent Hartree-fockmentioning

confidence: 99%

Section: Stochastic Time-dependent Hartree-fockmentioning

confidence: 99%

Section: Stochastic Time-dependent Hartree-fockmentioning

confidence: 99%

Section: Stochastic Time-dependent Hartree-fockmentioning

confidence: 99%

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