157 lines
5.8 KiB
HTML
157 lines
5.8 KiB
HTML
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content="text/html; charset=iso-8859-1">
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<title>Theory of Cluster Dynamics</title>
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<li style="margin-top:1px;border-top:1px solid #B0C4DE; "><a href="index.html">Home</a></li>
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<li><a href="intro.html">Introductory Overview</a></li>
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<li><a href="research.html">Scientific Information</a></li>
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<li><a href="staff.html">Staff</a></li>
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<li><a href="publications.html">Publications/Talks</a></li>
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<li><a href="contact.html">Contact</a></li>
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<p><font color="white" size="6"><b>Theory of Cluster Dynamics</b></font><font size="5"><br>
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</font><font size="6">
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</font><font size="5">The Toulouse - Erlangen Collaboration</font></p>
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<p>Our Research Activities</p>
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<div id="contentBoxWide"><!--
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A popular guide
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<p>
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For non-experts we provide some interesting basic and popular information on
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our research activities: </p>
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<p><a href="intro.html">What are clusters?</a></p>
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<p><a href="dynamics.html">Why studying cluster dynamics?</a></p>
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<li>
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<p><a href="ourdynamics/our_dynamics.html">How we deal with cluster dynamics</a></p>
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</ul>
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</div>
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-->
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<div style="width: 770px; float: left;">
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<div id="cBoxEnv">
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<div id="cBoxHeader"> A scientific guide </div>
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<div id="cBoxContent">
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<div style="text-align: justify;"> </div>
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<p style="text-align: justify;">The core of our activities concerns the
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dynamics of clusters. One can sort the various explored paths along
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three major directions of research. In the first place, we focus on
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intrinsic dynamical properties of clusters as revealed by moderate
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external excitations. The second research axis deals with the response
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of clusters when subjected to a possibly intense external field which, to a
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large extent, shapes the response of the system. The third
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aspect covers the numerous theoretical developments motivated by the
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description of cluster dynamics in the various situations and domains
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of excitations explored in the two previous items.
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</p>
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<p>
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<b><a href="analysis/detail1.html">Time and energy resolved analysis
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(intrinsic cluster dynamics)</a></b>
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</p>
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<p style="text-align: justify;">At moderate perturbations, the cluster
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response dominantly reflects its own (structure and dynamical)
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properties. This first item covers such situations (which for the
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simplest ones can also be addressed in purely static pictures). The
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optical response in metal clusters provides a typical example. </!--of such
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situations--> But we also pursue detailed investigations of photoelectron
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spectroscopy (energy and/or angle resolved) and of pump and probe
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scenarios at moderate excitations.
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</p>
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<p>
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<b><a href="analysis/detail2.html">
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Free clusters in external fields</a></b></p>
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<p style="text-align: justify;">
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This general title covers several aspects of our activities sharing the
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common denominator that the observed dynamics is a result of the
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cluster in interaction with an external (static or time dependent)
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field and not only of the cluster itself. The related phenomena lie in
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the adiabatic regime (plasmon, harmonic generation) as well as
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strongly non adiabatic situations. Extensive studies have thus been led
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on the various scenarios encountered by clusters irradiated by intense
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laser beams or hit by energetic highly charged projectiles.<br>
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</p>
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<p><b><a href="tddft-md/detailQMMM.html">Molecules and clusters in
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contact with a polarizable environment</a></b>
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</p>
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<p style="text-align: justify;">Clusters can be more
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easily handled experimentally when they are produced in contact with an environment
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(deposited on a surface or embedded in a matrix). This concerns various experiments and a large
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amount of experimental data. We have thus developed a generalized
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Quantum Mechanics / Molecular Mechanics (QM/MM) method in the sense
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that electronic degrees of freedom of the environment can be
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explicitely treated dynamically. This hierarchical approach allows us
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to explore various dynamical scenarios, as optical response of
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deposited clusters, deposition processes, irradiation of embedded
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clusters by an intense laser field, etc.<br>
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</p>
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<p><b><a href="tddft-md/formal.html">Theoretical developments</a> </b></p>
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<p style="text-align: justify;">Understanding of cluster dynamics
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represents a complex task which requires elaborate theoretical tools.
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Density Functional Theory (DFT) represents here a robust starting point
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which allows to address various situations. We use DFT at various
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levels of sophistications (Local Density Approximation, <a
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href="tddft-md/detailTDSIC.html">Self Interaction Correction</a>) in
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our time dependent approach. The basic tool is <a
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href="tddft-md/formal.html">
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Time Dependent LDA</a> in the quantal Kohn Sham picture, but we have
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also developed semi-classical schemes, in terms of the Vlasov-LDA approximation, possibly
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complemented by dynamical correlations. Exploratory investigations are
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also led to account for fluctuations by means of stochastic extensions
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of time dependent mean field theories. </p>
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