Tuesday, March 6, 2007
2:30PM - 3:06PM
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L19.00001: Many-Body Perturbation Theory and Density-Functional based approaches: successful combinations
Invited Speaker:
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Tuesday, March 6, 2007
3:06PM - 3:42PM
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L19.00002: Using Constrained DFT to Define a Diabatic Configuration Space
Invited Speaker:
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Tuesday, March 6, 2007
3:42PM - 3:54PM
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L19.00003: Ab initio study of near-edge x-ray absorption fine structure of hexagonal ice and liquid water
Wei Chen, Roberto Car
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Tuesday, March 6, 2007
3:54PM - 4:06PM
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L19.00004: Going beyond the Tamm-Dancoff approximation in the Bethe-Salpeter approach to the optical properties of solids
Peter Puschnig, Claudia Ambrosch-Draxl
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Tuesday, March 6, 2007
4:06PM - 4:18PM
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L19.00005: Electron-atom scattering using time-dependent density-functional theory
Meta van Faassen, Kieron Burke
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Tuesday, March 6, 2007
4:18PM - 4:30PM
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L19.00006: Investigation of Bonding in the BF$_{3}$-H$_{2}$O Complex
Archana Dubey, H.P. Saha, Lee Chow, R.H. Pink, Dip N. Mahato, M.B. Huang, T.P. Das, R.H. Scheicher, Mahendra K. Mahanti
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Tuesday, March 6, 2007
4:30PM - 4:42PM
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L19.00007: van der Waals coefficients in DFT: a simple approximation for the polarizability
Stefano de Gironcoli, Huy Viet Nguyen
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Tuesday, March 6, 2007
4:42PM - 4:54PM
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L19.00008: First-Principles Study of the Nature of Binding in BF$_{3}$ Molecular Solids
Dip N. Mahato, R.H. Pink, M.B. Huang, T.P. Das, Archana Dubey, Lee Chow, Mahendra K. Mahanti, R. H. Scheicher
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Tuesday, March 6, 2007
4:54PM - 5:06PM
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L19.00009: Optimized orbitals with second order opposite-spin correlation
Martin Head-Gordon
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Tuesday, March 6, 2007
5:06PM - 5:18PM
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L19.00010: On the dynamics of the spin-boson model: variational principle versus adiabatic approximation
Titus Sandu, Radu Iftimie
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