Thursday, March 24, 2005
2:30PM - 2:42PM
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W34.00001: Density of States of Weakly Disordered Two-Dimensional Frenkel Excitons
Nouredine Zettili, A. Boukahil
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Thursday, March 24, 2005
2:42PM - 2:54PM
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W34.00002: TDDFT approach with Gaussian Augmented Plane Waves
Thomas Chassai, Marcella Iannuzzi, Juerg Hutter
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Thursday, March 24, 2005
2:54PM - 3:06PM
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W34.00003: Parametrization and performance appraisal of the analytic and variational X$\alpha$ method
Rajendra Zope, Brett Dunlap
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Thursday, March 24, 2005
3:06PM - 3:18PM
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W34.00004: Density fluctuations in the geometric cluster algorithm
Jiwen Liu, Nigel B. Wilding, Erik Luijten
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Thursday, March 24, 2005
3:18PM - 3:30PM
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W34.00005: Density Functional Perturbation Theory on a real space grid
Eugene Kadantsev, M. J. Stott
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Thursday, March 24, 2005
3:30PM - 3:42PM
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W34.00006: Long Range Charge-Transfer Excitations in Time-Dependent Density Functional Theory
Neepa Maitra
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Thursday, March 24, 2005
3:42PM - 3:54PM
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W34.00007: 3d R-matrix calculations of electron scattering from extended molecular systems
Stefano Tonzani, Chris H. Greene
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Thursday, March 24, 2005
3:54PM - 4:06PM
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W34.00008: The Transcorrelated Method Combined with the Variational Monte Carlo Calculation: Application to Atoms
Naoto Umezawa, Shinji Tsuneyuki, Takahisa Ohno, Kenji Shiraishi, Toyohiro Chikyow
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Thursday, March 24, 2005
4:06PM - 4:18PM
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W34.00009: Dynamics of the photoisomerization process of {\it trans} - azobenzene: a time-dependent density functional study
Norihisa Oyama, Yoshitaka Tateyama, Yoshiyuki Miyamoto, Takahisa Ohno
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Thursday, March 24, 2005
4:18PM - 4:30PM
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W34.00010: Calculation of the dynamics of nonadiabatic transitions with multiple vibrational modes
Kunio Ishida, Keiichiro Nasu
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Thursday, March 24, 2005
4:30PM - 4:42PM
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W34.00011: Fast sampling in the slow manifold: The momentum-enhanced hybrid Monte Carlo method
Ioan Andricioaei
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Thursday, March 24, 2005
4:42PM - 4:54PM
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W34.00012: Correlated geminal wave function: a resonating valence bond approach for quantum chemistry
Michele Casula, Claudio Attaccalite, Sandro Sorella
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Thursday, March 24, 2005
4:54PM - 5:06PM
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W34.00013: Molecular vibrations and the rotating Eckart frame of the ArHCl van der Waals complex
Florence J. Lin
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Thursday, March 24, 2005
5:06PM - 5:18PM
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W34.00014: Collective diffusion in an ordered adsorbate: kinetic lattice gas model approach
Zbigniew W. Gortel, Magdalena A. Za{\l}uska--Kotur
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Thursday, March 24, 2005
5:18PM - 5:30PM
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W34.00015: First-Principles Hartree-Fock-Roothaan Study of Ground State of Ozone including Many-Body Effects
Shekhar Gurung, M.M. Aryal, D.D. Paudyal, D.R. Mishra, N.B. Maharjan, B. Dhakal, R.H. Scheicher, Junho Jeong, T.P. Das
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W34.00016: Spontaneous Quantum Electrical Dipole Predicted in Triangular Molecules
Ryan Requist, Philip B. Allen, Alexander G. Abanov, Tunna Baruah
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