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:
Lucia Reining
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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:
Troy Van Voorhis
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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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