Wednesday, March 20, 2013
11:15AM - 11:27AM
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N24.00001: Large-scale Bethe-Salpeter equation calculations of core-level x-ray spectra
J. J. Rehr, J. Vinson, K. Gilmore
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Wednesday, March 20, 2013
11:27AM - 11:39AM
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N24.00002: Calculation of charge-transfer satellites in x-ray absorption spectroscopy of transition metal oxides
E. Klevak, J.J. Kas, J.J. Rehr
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Wednesday, March 20, 2013
11:39AM - 11:51AM
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N24.00003: Correlation matrix renormalization approximation for total energy calculations of correlated electron systems
Y.X. Yao, C. Liu, J. Liu, W.C. Lu, C.Z. Wang, K.M. Ho
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Wednesday, March 20, 2013
11:51AM - 12:03PM
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N24.00004: Disorder effects in solid state systems beyond a single-site prospective: theories and applications
Alberto Marmodoro, Arthur Ernst
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Wednesday, March 20, 2013
12:03PM - 12:15PM
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N24.00005: First-principles studies of photoelectron spectroscopy of solvated hydronium and hydroxide in water
Charles Swartz, Xifan Wu
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Wednesday, March 20, 2013
12:15PM - 12:27PM
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N24.00006: Bethe-Salpeter equation calculations of resonant inelastic x-ray scattering at the nitrogen K edge
John Vinson, Terrence Jach, Tim Elam, Jonathon Denlinger
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Wednesday, March 20, 2013
12:27PM - 12:39PM
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N24.00007: Generalized optimization of Wannier functions
Emanuel Lazar, Hyowon Park, Chris Marianetti, Andy Millis
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Wednesday, March 20, 2013
12:39PM - 12:51PM
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N24.00008: Improving the Accuracy of Diffusion Monte Carlo: Insights from Calculations of High Pressure Solid-Solid Phase Transitions
L. Shulenburger, T. R. Mattsson
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Wednesday, March 20, 2013
12:51PM - 1:03PM
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N24.00009: Assessing the connection between charge density and local fields
Eric Shirley
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Wednesday, March 20, 2013
1:03PM - 1:15PM
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N24.00010: Anomalous Anharmonic Phonons in PbTe Reproduced from First-Principles Calculations
Yue Chen, Chris Marianetti
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Wednesday, March 20, 2013
1:15PM - 1:27PM
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N24.00011: Endohedral fullerene as acceptor: A DFT study on charge transfer states of Sc$_3$N@C$_{80}$-porphyrin complex
Fatameh Amerikheirabadi, Luis Basurto, Rajendra Zope, Tunna Baruah
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Wednesday, March 20, 2013
1:27PM - 1:39PM
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N24.00012: ABSTRACT WITHDRAWN
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Wednesday, March 20, 2013
1:39PM - 1:51PM
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N24.00013: Melting of ice simulated by a multicanonical method combined with a first-principles calculation
Yoshihide Yoshimoto
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Wednesday, March 20, 2013
1:51PM - 2:03PM
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N24.00014: DCA$^+$: Incorporating self-consistently a continuous momentum self-energy in the Dynamical Cluster Approximation
Peter Staar, Thomas Maier, Thomas Schulthess
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Wednesday, March 20, 2013
2:03PM - 2:15PM
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N24.00015: Polaron Localization in Conjugated Polymers by Hybrid DFT Methods
Nan Shao, Qin Wu
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