Updates to publications and links

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absorption spectrum which has a pronounced collection of
strength in the region of the Mie plasmon. TDLDA driven with
small amplitude excitations allows to explore the optical
response [<a href="../literatur.html#own1155">9</a>]. The
response [<a href="../publications.html#Cal97">Cal97</a>]. The
figure beneath shows results for Na<sub>8</sub><sup>+</sup> as
example (taken from [<a href="../literatur.html#own1315"><font
color="red">???</font></a>])
example (taken from [<a href="../publications.html#Leg06">Leg06</a>])
in comparison to experiment (upper panel) and CI calculations
(<font color="red"><b>???</b></font>)(second from above). The
(second from above). The
overall position of the peak strength is nicely reproduced by
all methods, even by the semiclassical approach. CI produces
the most detailed spectrum. The green bars show the discrete
@ -86,10 +85,10 @@
Laser induced direct photo-emission of electrons allows to
conclude on the clusters single-electron states by measuring
the photo-electron spectra (PES). TDLDA with appropriate
self-interaction correction (SIC) [<a href="../literatur.html#own1252">277</a>]
allows to simulate that process in detail [<a href="../literatur.html#own1227">251</a>]
self-interaction correction (SIC) [<a href="../publications.html#Leg02">Leg02</a>]
allows to simulate that process in detail [<a href="../publications.html#Poh00">Poh00</a>]
. The figure to the left shows two examples for two clusters
which are nearly spherical (taken from [<a href="../literatur.html#own1285">304</a>]).
which are nearly spherical (taken from [<a href="../publications.html#Poh03">Poh03</a>]).
The arrows indicate the level classification according to
principal quantum number and angular momentum. The PES depend,
of course, on the direction of emission (checked here are the
@ -112,7 +111,7 @@
allows an enormous manifold of P&amp;P scenarios. The figure
to the right sketches a simple and robust scenario for a
nearly spherical cluster, actually Na<sub>41</sub><sup>+</sup>
[<a href="../literatur.html#own1246">290</a>]. The idea is to
[<a href="../publications.html#And02">And02</a>]. The idea is to
map the radius vibrations of the cluster by an off-resonant
laser pulse. The pump pulse ionizes the Na<sub>41</sub><sup>+</sup>
within 50 fs by three more charge units, see second panel from

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<img src="figs/MD_fig5.gif" width="300" align="right" /> The
figure to the right shows the result of a molecular dynamics
simulation of electronic and ionic dynamics of Na<sub>41</sub><sup>+</sup>
under the influence of strong laser fields [<a href="../literatur.html#own1308">332</a>].
under the influence of strong laser fields [<a href="../publications.html#Bel06">Bel06</a>].
Ionization
is drawn as function of laser intensity. One sees a sharp kink
at a critical intensity of I = 10<sup>16</sup> W/cm<sup>2</sup>.

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<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN" "http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd"> <html xmlns="http://www.w3.org/1999/xhtml"> <head> <meta http-equiv="content-type" content="application/xhtml+xml; charset=iso-8859-1" /> <title>Theory of Cluster Dynamics</title> <link href="../style.css" rel="stylesheet" type="text/css" /> </head> <body> <div id="container"> <div id="header"> <div id="menu"> <div id="navMenu"> <ul> <li style="margin-top:1px;border-top:1px solid #B0C4DE; "><a href="../index.html">Home</a></li> <li><a href="../intro.html">Introductory Overview</a></li> <li><a href="../research.html">Scientific Information</a></li> <li><a href="../staff.html">Staff</a></li> <li><a href="../publications.html">Publications/Talks</a></li> <li><a href="../contact.html">Contact</a></li> </ul> </div> </div> <div id="image"> <p><font size="6" color="white"><b>Theory of Cluster Dynamics</b></font><font size="5"><br /> </font><font size="6"> </font><font size="5">The Toulouse - Erlangen Collaboration</font></p> </div> <a name="oben"> </a> <div id="content"><a name="oben"> </a> <div style="margin:15px;width:770px;border:1px solid gray;float:left;font-size:10px;"><a name="oben"> </a> <div style="width:180px;float:left;text-align:center;font-size:10px"><a name="oben"> </a><a href="formal.html">1. Theoretical developments </a> </div> <div style="width:200px;float:left;text-align:center;font-size:10px;"> <a href="../analysis/detail1.html"> 2. Analysis of cluster dynamics </a> </div> <div style="width:200px;float:left;text-align:center;font-weight:900;font-size:10px;"> <a href="../analysis/detail2.html"> 3. Clusters in strong external fields </a> </div> <div style="width:180px;float:left;text-align:center;font-weight:900;font-size:12px;"> <a href="detailQMMM.html"> 4. Embedded clusters </a> </div> </div> <div id="WideContent"> <div id="contentBoxWide"> <div id="contentBoxHeader"> <p> Clusters in contact with a polarizable environment</p> </div> <div id="contentBoxContent"> <!-- START CONTENT HERE --> <br /> <p><img src="figs/na8_nacl_SHG.gif" width="300" align="right" /> Many experiments are done for clusters in contact with a substrate. The strong interface interaction modifies the cluster and theoretical simulations become more involved. However, some features can only be explored in connection with a substrate. E.g., the symmetry breaking through a surface gives access to second-harmonic generation (SHG). <br /> <br /> The figure beneath shows the results from a TDLDA simulation of SHG for Na<sub>8</sub> attached to a NaCl surface [<a href="../literatur.html#own1224">248</a>].
<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN" "http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd"> <html xmlns="http://www.w3.org/1999/xhtml"> <head> <meta http-equiv="content-type" content="application/xhtml+xml; charset=iso-8859-1" /> <title>Theory of Cluster Dynamics</title> <link href="../style.css" rel="stylesheet" type="text/css" /> </head> <body> <div id="container"> <div id="header"> <div id="menu"> <div id="navMenu"> <ul> <li style="margin-top:1px;border-top:1px solid #B0C4DE; "><a href="../index.html">Home</a></li> <li><a href="../intro.html">Introductory Overview</a></li> <li><a href="../research.html">Scientific Information</a></li> <li><a href="../staff.html">Staff</a></li> <li><a href="../publications.html">Publications/Talks</a></li> <li><a href="../contact.html">Contact</a></li> </ul> </div> </div> <div id="image"> <p><font size="6" color="white"><b>Theory of Cluster Dynamics</b></font><font size="5"><br /> </font><font size="6"> </font><font size="5">The Toulouse - Erlangen Collaboration</font></p> </div> <a name="oben"> </a> <div id="content"><a name="oben"> </a> <div style="margin:15px;width:770px;border:1px solid gray;float:left;font-size:10px;"><a name="oben"> </a> <div style="width:180px;float:left;text-align:center;font-size:10px"><a name="oben"> </a><a href="formal.html">1. Theoretical developments </a> </div> <div style="width:200px;float:left;text-align:center;font-size:10px;"> <a href="../analysis/detail1.html"> 2. Analysis of cluster dynamics </a> </div> <div style="width:200px;float:left;text-align:center;font-weight:900;font-size:10px;"> <a href="../analysis/detail2.html"> 3. Clusters in strong external fields </a> </div> <div style="width:180px;float:left;text-align:center;font-weight:900;font-size:12px;"> <a href="detailQMMM.html"> 4. Embedded clusters </a> </div> </div> <div id="WideContent"> <div id="contentBoxWide"> <div id="contentBoxHeader"> <p> Clusters in contact with a polarizable environment</p> </div> <div id="contentBoxContent"> <!-- START CONTENT HERE --> <br /> <p><img src="figs/na8_nacl_SHG.gif" width="300" align="right" /> Many experiments are done for clusters in contact with a substrate. The strong interface interaction modifies the cluster and theoretical simulations become more involved. However, some features can only be explored in connection with a substrate. E.g., the symmetry breaking through a surface gives access to second-harmonic generation (SHG). <br /> <br /> The figure beneath shows the results from a TDLDA simulation of SHG for Na<sub>8</sub> attached to a NaCl surface [<a href="../publications.html#Koh00">Koh00</a>].
The spectra resulting from irradiation with a 1.4 eV pulse shows nicely the peaks at multiple frequencies. The SHG signal can be enhanced by increasing the laser intensity. This, however, breaks down at some point where the signals are substantially broadened. This is caused by a large ionization which spoils the otherwise clean dipole response of metal clusters. </p> <br /> <br /> <p> <img src="figs/na6_ar384d_deposit.gif" width="300" align="left" />TDLDA
coupled
with molecular dynamics (MD) for ionic motion is a very powerfull tool to describe cluster dynamics. One application is cluster deposition which is illustrated in the figure on the left. It shows Na<sub>6</sub> impinging on an Ar surface (see [<a href="../literatur.html#own1303">328</a>] for further details). The substrate consists of six layers of Ar taken from an appropriate cut of the Ar fcc structure. The Na<sub>6</sub> cluster consist in a ring of 5 ions topped by one ion on the symmetry axix. The Na<sub>6</sub> approaches the surface with the symmetry axis in <i>z</i> direction (=perpendicular) and the top ion facing away from the surface. <br /> <br /> The upper panel shows the evolution of the <i>z</i> coordinates, Na ions in red and Ar atoms in green. The cluster is immediately stopped by the surface. A large fraction of impact momentum is transferred at once to the substrate and propagates with velocity of light through the layers. The large dissipation through energy transfer and intrinsic cluster excitation leads to catching of the cluster by the subtrate. The kinetic energies in the lower panel confirm the dramatic and very fast energy exchange at the moment of first impact. Another fraction of energy, not shown in the figure, is turned into the large shape changes. </p> <br /> <br /> <center> <table width="70%"> <tbody> <tr> <td align="right"> <a href="#top">Back to top </a> </td> </tr> </tbody> </table> </center> </div> </div> </div> </div> <div id="footer"> <p></p> </div> </div> </div> </body> </html>
with molecular dynamics (MD) for ionic motion is a very powerfull tool to describe cluster dynamics. One application is cluster deposition which is illustrated in the figure on the left. It shows Na<sub>6</sub> impinging on an Ar surface (see [<a href="../publications.html#Feh06">Feh06</a>] for further details). The substrate consists of six layers of Ar taken from an appropriate cut of the Ar fcc structure. The Na<sub>6</sub> cluster consist in a ring of 5 ions topped by one ion on the symmetry axix. The Na<sub>6</sub> approaches the surface with the symmetry axis in <i>z</i> direction (=perpendicular) and the top ion facing away from the surface. <br /> <br /> The upper panel shows the evolution of the <i>z</i> coordinates, Na ions in red and Ar atoms in green. The cluster is immediately stopped by the surface. A large fraction of impact momentum is transferred at once to the substrate and propagates with velocity of light through the layers. The large dissipation through energy transfer and intrinsic cluster excitation leads to catching of the cluster by the subtrate. The kinetic energies in the lower panel confirm the dramatic and very fast energy exchange at the moment of first impact. Another fraction of energy, not shown in the figure, is turned into the large shape changes. </p> <br /> <br /> <center> <table width="70%"> <tbody> <tr> <td align="right"> <a href="#top">Back to top </a> </td> </tr> </tbody> </table> </center> </div> </div> </div> </div> <div id="footer"> <p></p> </div> </div> </div> </body> </html>

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