Preliminary Program subject to change
Electronic Structure in Chemistry I
Presentation Type	Oral
Summary Statement
Presider:	Kieron Burke, Rutgers University, Piscataway, NJ
Welcoming Remarks Keynote Address: The H-bond Network in Water Roberto Car, Princeton University, Princeton, NJ MAME water model: Coulomb, induction and dispersion interactions in water dimer Eugene V. Tsiper, George Mason University and Naval Research Lab, Washington, DC Ab Initio MD studies of hydrogen bonding in water and peptidic fragments Glenn Martyna, IBM Research, Yorktown Heights, NY Efficient evaluation of nonlocal pseudopotentials via Euler exponential spline interpolation Hee-Seung Lee1, Mark E. Tuckerman1 and Glenn Martyna2, (1)New York University, New York, NY, (2)IBM Research, Yorktown Heights, NY Break Spatial and coupling constant scaling in time dependent current density functional theory Maxime Dion and Kieron Burke, Rutgers University, Piscataway, NJ Density-functional-based methods for calculations of intermolecular forces Krzysztof Szalewicz1, Alston J. Misquitta1, Rafal Podeszwa1 and Bogumil Jeziorski2, (1)University of Delaware, Newark, DE, (2)University of Warsaw, Warsaw, Poland Undoing static correlation: long-range charge transfer in time-dependent density functional theory Neepa T. Maitra, Hunter College of CUNY, New York, NY Time-dependent current-density-functional theory: excitation and response properties of polymers Meta van Faassen1, Robert van Leeuwen1, Kieron Burke2 and Paul L. de Boeij1, (1)University of Groningen, Groningen, Netherlands, (2)Rutgers University, Piscataway, NJ

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