Thursday, March 19, 2009
11:15AM - 11:27AM
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W37.00001: X-ray absorption spectra of ice and water: a first principles study with the GW method
Xifan Wu, Wei Chen, Roberto Car
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Thursday, March 19, 2009
11:27AM - 11:39AM
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W37.00002: Iterative Monte Carlo for Quantum Dynamics
Vikram Jadhao, Nancy Makri
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Thursday, March 19, 2009
11:39AM - 11:51AM
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W37.00003: Resonating Valence Bond wave function with molecular orbitals: first application to dimers
Sandro Sorella, Sam Azadi, Mariapia Marchi, Michele Casula
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Thursday, March 19, 2009
11:51AM - 12:03PM
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W37.00004: ABSTRACT WITHDRAWN
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Thursday, March 19, 2009
12:03PM - 12:15PM
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W37.00005: Representing quantum environments
Michael Zwolak
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Thursday, March 19, 2009
12:15PM - 12:27PM
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W37.00006: ABSTRACT WITHDRAWN
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Thursday, March 19, 2009
12:27PM - 12:39PM
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W37.00007: Application of the Finite-Element Space-Time Algorithm to Bound States
Charles Weatherford, Albert Wynn, Daniel Gebremedhin, Xingjun Zhang
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Thursday, March 19, 2009
12:39PM - 12:51PM
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W37.00008: Test of Current Variational Procedures for Electronic Structures and Properties of Molecular and Solid State Systems by application to Atomic Systems-H$^{- }$Ion
Hari Paudel, Archana Dubey, R.H. Scheicher, S.R. Badu, R.H. Pink, T.P. Das
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Thursday, March 19, 2009
12:51PM - 1:03PM
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W37.00009: Computation of Nonlinear Impedance Spectra in Samaria Doped Ceria
Francesco Ciucci
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Thursday, March 19, 2009
1:03PM - 1:15PM
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W37.00010: An Analytical Approach to Computing Biomolecular Electrostatic Potential
Andrew Fenley, John Gordon, Alexey Onufriev
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Thursday, March 19, 2009
1:15PM - 1:27PM
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W37.00011: {\em Ab Initio} Study of Atomic and Molecular Polarizabi-lities
Igor Vasiliev, James R. Chelikowsky
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Thursday, March 19, 2009
1:27PM - 1:39PM
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W37.00012: Theoretical predictions of the impact of nuclear dynamics and environment on core-level spectra of organic molecules
David Prendergast, Craig Schwartz, Janel Uejio, Richard Saykally
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Thursday, March 19, 2009
1:39PM - 1:51PM
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W37.00013: Efficient free energy calculations of quantum systems through computer simulations
Alex Antonelli, Rafael Ramirez, Carlos Herrero, Eduardo Hernandez
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Thursday, March 19, 2009
1:51PM - 2:03PM
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W37.00014: Applications of a novel QM/MM method incorporating a polarizable force field.
Christopher Williams, John Herbert
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