Bulletin of the American Physical Society

APS March Meeting 2011

Volume 56, Number 1

Monday–Friday, March 21–25, 2011; Dallas, Texas

Session Index

Session Q40: Theoretical Methods and Algorithms for Chemical Physics	Show Abstracts
Sponsoring Units: DCP Chair: Donald Truhlar, University of Minnesota Room: A122/123

Wednesday, March 23, 2011 11:15AM - 11:27AM		Q40.00001: Primordial Particles; Collisions of Inelastic Particles George Sagi Preview Abstract
Wednesday, March 23, 2011 11:27AM - 11:39AM		Q40.00002: Aggregation of Thermal Particles in Simulation Iat Neng Chan Preview Abstract
Wednesday, March 23, 2011 11:39AM - 11:51AM		Q40.00003: Many Body Density Matrix Theory C.J. Tymczak Preview Abstract
Wednesday, March 23, 2011 11:51AM - 12:03PM		Q40.00004: Probing the Surface-to-Bulk Transition: A Closed-Form, Constant-Scaling Algorithm for Computing Subsurface Green Functions Matthew Reuter, Tamar Seideman, Mark Ratner Preview Abstract
Wednesday, March 23, 2011 12:03PM - 12:15PM		Q40.00005: Projecting the phase-space trajectory of multidimensional non-equilibrium systems onto a discrete set of states: a Projective Dynamics approach Katja Schaefer, M.A. Novotny Preview Abstract
Wednesday, March 23, 2011 12:15PM - 12:27PM		Q40.00006: Finding lowest saddle point Qing Lu, Minghai Li, Akihiro Kushima, Xi Lin Preview Abstract
Wednesday, March 23, 2011 12:27PM - 12:39PM		Q40.00007: The Reaction of Carbon Dioxide with Water Clusters: an Ab Initio Metadynamics Study Gregoire Gallet, Fabio Pietrucci, Wanda Andreoni Preview Abstract
Wednesday, March 23, 2011 12:39PM - 12:51PM		Q40.00008: Triplet Pairing and Odd-Electron Densities in Constrained-Pairing Mean-Field Theory Jason K. Ellis, Carlos A. Jimenez-Hoyos, Gustavo E. Scuseria Preview Abstract
Wednesday, March 23, 2011 12:51PM - 1:03PM		Q40.00009: Dynamical Mean-Field Theory for Quantum Chemistry Nan Lin, Chris Marianetti, Andrew Millis, David Reichman Preview Abstract
Wednesday, March 23, 2011 1:03PM - 1:15PM		Q40.00010: Constrained Active Space Unrestricted Mean-Field Approaches for Controlling Spin-Contamination Takashi Tsuchimochi, Gustavo E. Scuseria Preview Abstract
Wednesday, March 23, 2011 1:15PM - 1:27PM		Q40.00011: Nuclear quantum effects using selective mode excitation in water Sriram Ganeshan, Marivi Fernandez-Serra Preview Abstract
Wednesday, March 23, 2011 1:27PM - 1:39PM		Q40.00012: \textit{Ab Initio} Composite Methods Angela Wilson, Wanyi Jiang, Gbenga Oyedepo, Marie Laury Preview Abstract
Wednesday, March 23, 2011 1:39PM - 1:51PM		Q40.00013: Distortion of scanning-tunnelling-spectroscopy images of isolated molecules induced by electron correlation Massimo Rontani, Dimitrios Toroz, Stefano Corni Preview Abstract
Wednesday, March 23, 2011 1:51PM - 2:03PM		Q40.00014: Maximizing the hyperpolarizability poorly determines the potential Rolfe Petschek, Timothy Atherton, Joseph Lesnefsky, Greg Wiggers Preview Abstract

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Bulletin of the American Physical Society

APS March Meeting 2011

Volume 56, Number 1

Monday–Friday, March 21–25, 2011; Dallas, Texas

Session Index

Session Q40: Theoretical Methods and Algorithms for Chemical Physics

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