Session Index

Session B31: Focus Session: Computational Nanoscience I: Electronic and Optical Properties of Nanoclusters

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Abstracts
Sponsoring Units: DMP DCOMP
Chair: James R. Chelikowsky, University of Texas at Austin
Room: Morial Convention Center 223


Monday, March 10, 2008
11:15AM - 11:51AM

 B31.00001: Optical Properties of Free and Embedded Small Nanoparticles
Invited Speaker: Juan Idrobo

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Monday, March 10, 2008
11:51AM - 12:03PM

 B31.00002: Ab initio calculation of temperature effects in the optical response of open-shell sodium clusters
Marie Lopez del Puerto , Murilo Tiago , James Chelikowsky

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Monday, March 10, 2008
12:03PM - 12:15PM

 B31.00003: Bethe-Salpeter and Quantum Monte Carlo Calculations of the Optical Properties of Carbon Fullerenes
P.R.C. Kent , M.L. Tiago , F.A. Reboredo , Randolph Q. Hood

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Monday, March 10, 2008
12:15PM - 12:27PM

 B31.00004: Efficient first principles quasiparticle states using optimal Brillouin zone sampling
David Prendergast , Steven G. Louie

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Monday, March 10, 2008
12:27PM - 12:39PM

 B31.00005: First Principles Absorption Spectra of Intermediate Size Ag$_n$ ($n=10-20$) Clusters
Kopinjol Baishya , Juan Carlos Idrobo , Serdar Ogut , Mingli Yang , Koblar A. Jackson , Julius Jellinek

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Monday, March 10, 2008
12:39PM - 12:51PM

 B31.00006: Trends in the Electronic Structure and Vibrational Dynamics of 34 atom Ag-Cu Nanoalloy (Ag$_{n}$-Cu$_{34-n}$)
H. Yildirim , A. Kara , T.S. Rahman

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Monday, March 10, 2008
12:51PM - 1:03PM

 B31.00007: Static dipole polarizabilities of icosahedral fullerenes from C$_{60}$ to C$_{2160}$ by all-electron density-functional theory
Rajendra Zope , Tunna Baruah , Mark Pederson , Brett Dunlap

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Monday, March 10, 2008
1:03PM - 1:15PM

 B31.00008: Heusler clusters
Alexey Zayak , Scott Beckman , Murilo Tiago , Peter Entel , James Chelikowsky

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Monday, March 10, 2008
1:15PM - 1:27PM

 B31.00009: Tangential Ligand-Induced Strain in Icosahedral Au13
Leeor Kronik , Olga Guliamov , Anatoly Frenkel , Laurent Menard , Ralph Nuzzo

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Monday, March 10, 2008
1:27PM - 1:39PM

 B31.00010: Structural Properties and Phase Transitions in Small Gold Nanoclusters
Yanting Wang , Sergey Rashkeev

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Monday, March 10, 2008
1:39PM - 1:51PM

 B31.00011: The peculiar distribution pattern of Pd on the PdAu bimetallic nanoclusters
Dingwang Yuan , Xingao Gong , Ruqian Wu

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Monday, March 10, 2008
1:51PM - 2:03PM

 B31.00012: Computational model for the production of monodisperse silver spheres in solution
Daniel Robb , Ionel Halaciuga , Vladimir Privman , Dan Goia

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