Bulletin of the American Physical Society

2005 APS March Meeting

Monday–Friday, March 21–25, 2005; Los Angeles, CA

Session Index

Session D25: Optical Response of Molecules and Clusters: Theory	Show Abstracts
Sponsoring Units: DCOMP DMP Chair: Sudha Srinivas, Central Michigan Univ. Room: LACC 501A

Monday, March 21, 2005 2:30PM - 2:42PM		D25.00001: {\it Ab initio} calculations for the photoelectron spectra of transition metal clusters Shen Li, Manuel Alemany, James Chelikowsky Preview Abstract
Monday, March 21, 2005 2:42PM - 2:54PM		D25.00002: First-Principles Simulation of a Light Harvesting Molecular Triad Tunna Baruah, Mark Pederson Preview Abstract
Monday, March 21, 2005 2:54PM - 3:06PM		D25.00003: Efficient calculation of optical linear response of large silicon clusters. Gefei Chang, Yia-Chung Chang Preview Abstract
Monday, March 21, 2005 3:06PM - 3:18PM		D25.00004: Theoretical Confirmation of the Experimental Raman Spectra of the Diamondoid Molecule: Cyclohexamantane (C$_{26}$H$_{30}$) Steven L. Richardson, Tunna Baruah, Michael J. Mehl, Mark R. Pederson Preview Abstract
Monday, March 21, 2005 3:18PM - 3:30PM		D25.00005: Calculated Properties of B$_{10}$C$_2$ Clusters L. L. Boyer, Kyungwha Park, M. R. Pederson, W. N. Mei, R. F. Sabirianov, Xiao Cheng Zeng, Luis G. Rosa, S. Balaz, P. A. Dowben Preview Abstract
Monday, March 21, 2005 3:30PM - 3:42PM		D25.00006: QMC calculations of the opitical gaps of Ge Nanoclusters using CPPs Jordan Vincent, Jeongnim Kim, Richard Martin Preview Abstract
Monday, March 21, 2005 3:42PM - 3:54PM		D25.00007: QMC Calculation of the Electronic Correlations in a Fullerene Molecule Fei Lin, Jurij Smakov, Erik Sorensen, Catherine Kallin, John Berlinsky Preview Abstract
Monday, March 21, 2005 3:54PM - 4:06PM		D25.00008: First Principles Calculations of the Optical Properties of Hydrogen Terminated Carbon Nanoparticles Andrew Williamson, Giulia Galli, Neil Drummond, Richard Needs Preview Abstract
Monday, March 21, 2005 4:06PM - 4:18PM		D25.00009: First-principles calculation of optical excitations in azobenzene (C$_{12}$H$_{10}$N$_2$) Murilo L. Tiago, James R. Chelikowsky Preview Abstract
Monday, March 21, 2005 4:18PM - 4:30PM		D25.00010: Properties of Nitrogen-doped nanodiamond probed by first-principles. Jean-Yves Raty, Giulia Galli Preview Abstract
Monday, March 21, 2005 4:30PM - 4:42PM		D25.00011: Theory of dielectric properties of composites based on metallic nano-particles: Kohn’s Theorem approach. Krzysztof Kempa Preview Abstract
Monday, March 21, 2005 4:42PM - 4:54PM		D25.00012: Electronic properties of water David Prendergast, Jeffrey Grossman, Giulia Galli Preview Abstract
Monday, March 21, 2005 4:54PM - 5:06PM		D25.00013: Ab-initio simulation of Heme using GGA+U: a step toward accurate spin-state energetics Damian Scherlis, Matteo Cococcioni, P. H.-L. Sit, Nicola Marzari Preview Abstract
Monday, March 21, 2005 5:06PM - 5:18PM		D25.00014: Bone mineral: first principles study of carbonate substitutions in hydroxyapatite Roope Astala, Malcolm J. Stott Preview Abstract
Monday, March 21, 2005 5:18PM - 5:30PM		D25.00015: Comparative Studies of the Energetic and Properties of gamma-GeSi2N4 and gamma-SiGe2N4 in the Spinel Structure Hongzhi Yao, Lizhi Ouyang, Wai-Yim Ching Preview Abstract

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Bulletin of the American Physical Society

2005 APS March Meeting

Monday–Friday, March 21–25, 2005; Los Angeles, CA

Session Index

Session D25: Optical Response of Molecules and Clusters: Theory

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