Session Index

Session H10: Focus Session: Frontiers in Computational Chemical Physics I

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Abstracts
Sponsoring Units: DCP
Chair: Eugene Mele, University of Pennsylvania
Room: Baltimore Convention Center 302


Tuesday, March 14, 2006
11:15AM - 11:51AM

 H10.00001: A Revisit to Soliton Theory
Invited Speaker: Xi Lin

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Tuesday, March 14, 2006
11:51AM - 12:03PM

 H10.00002: Auxiliary field quantum Monte Carlo with a localized basis--applications to atoms and molecules
Wissam A. Al-Saidi , Shiwei Zhang , Henry Krakauer

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Tuesday, March 14, 2006
12:03PM - 12:15PM

 H10.00003: Monte Carlo Studies of Soft Pentagonal Rotors and Polymer Self-Assembly
Michael Winokur , Marcus Mueller

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Tuesday, March 14, 2006
12:15PM - 12:27PM

 H10.00004: Particle-Hole Corrections for Accurate DFT-based Charge Transfer Energetics
Tunna Baruah , M. Pederson

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Tuesday, March 14, 2006
12:27PM - 12:39PM

 H10.00005: Low Energy Inelastic Helium Atom Scattering from Monolayers
L.W. Bruch , F.Y. Hansen

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Tuesday, March 14, 2006
12:39PM - 1:15PM

 H10.00006: A time-dependent density functional theory approach for the excited state dynamics of nanostructures and biomolecules
Invited Speaker: Rubio Angel

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Tuesday, March 14, 2006
1:15PM - 1:27PM

 H10.00007: Energetic, structural and vibrational properties of carbon monoxide on transition-metal surfaces: a linear-response approach to the energy puzzle
Ismaila Dabo , Andrzej Wieckowsi , Nicola Marzari

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Tuesday, March 14, 2006
1:27PM - 1:39PM

 H10.00008: y-induced chaotic Whispering Gallery modes
Araceli Gongora-Trevino , Stuart Schaffner , Jorge Jose

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Tuesday, March 14, 2006
1:39PM - 1:51PM

 H10.00009: A generalization of the charge equilibration method
Razvan A. Nistor , Jeliazko G. Polihronov , Martin H. Muser , Nick J. Mosey

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Tuesday, March 14, 2006
1:51PM - 2:03PM

 H10.00010: Atomization energies using analytic density functional theory
Rajendra Zope , Brett Dunlap

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Tuesday, March 14, 2006
2:03PM - 2:15PM

 H10.00011: Comparison of two simple models for high frequency friction: Exponential vs. Gaussian wings
Steven Adelman

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