Electronic Structure Methods II
ORAL · N24 ·
Presentations
-
Large-scale Bethe-Salpeter equation calculations of core-level x-ray spectra
ORAL
–
Authors
-
J.J. Rehr
- University of Washington
- U. Washington
- Dept. of Physics, U. of Washington, Seattle, WA 98195
- University of Washington, Seattle
-
J. Vinson
- U. Washington
-
K. Gilmore
- U. Washington
-
-
Calculation of charge-transfer satellites in x-ray absorption spectroscopy of transition metal oxides
ORAL
–
Authors
-
E. Klevak
- University of Washington
-
J.J. Kas
- U. Washington
- University of Washington, Seattle
-
J.J. Rehr
- University of Washington
- U. Washington
- Dept. of Physics, U. of Washington, Seattle, WA 98195
- University of Washington, Seattle
-
-
Correlation matrix renormalization approximation for total energy calculations of correlated electron systems
ORAL
–
Authors
-
Y.X. Yao
- Iowa State University
- Ames Laboratory and Iowa State University
-
C. Liu
- Iowa State University
- Ames Laboratory and Iowa State University
-
J. Liu
- Iowa State University
- Ames Laboratory and Iowa State University
-
W.C. Lu
- Iowa State University
- Jilin University and Qingdao University
-
Cai-Zhuang Wang
- Iowa State University
- Ames Laboratory, US DOE and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA
- Ames Laboratory and Iowa State University
- Ames Laboratory
- Ames Laboratory-US Department of Energy, and Department of Physics and Astronomy, Iowa State University, Ames, Iowa, 50011, USA
-
Kai-Ming Ho
- Iowa State University
- Ames Laboratory, US DOE and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA
- Ames Laboratory and Iowa State University
- Ames Laboratory
- Ames Laboratory-US Department of Energy, and Department of Physics and Astronomy, Iowa State University, Ames, Iowa, 50011, USA
-
-
Disorder effects in solid state systems beyond a single-site prospective: theories and applications
ORAL
–
Authors
-
Alberto Marmodoro
- Max-Planck-Institut f\"ur Mikrostrukturphysik, Halle
-
Arthur Ernst
- Max-Planck-Institut f\"ur Mikrostrukturphysik, Halle
- Max Planck Institute of Microstructure Physics, 06120 Halle, Germany
-
-
First-principles studies of photoelectron spectroscopy of solvated hydronium and hydroxide in water
ORAL
–
Authors
-
Charles Swartz
- Temple University
-
Xifan Wu
- Temple University
-
-
Bethe-Salpeter equation calculations of resonant inelastic x-ray scattering at the nitrogen K edge
ORAL
–
Authors
-
John Vinson
- NIST, Gaithersburg, MD
-
Terrence Jach
- NIST, Gaithersburg, MD
-
Tim Elam
- Applied Physics Laboratory, U. Washington
-
Jonathon Denlinger
- Advanced Light Source, LBL
-
-
Generalized optimization of Wannier functions
ORAL
–
Authors
-
Emanuel Lazar
- Columbia University
-
Hyowon Park
- Columbia University
-
Chris Marianetti
- Dept of Applied Physics and Applied Mathematics, Columbia University
- Columbia University
-
Andrew Millis
- Dept of Physics, Columbia University
- Department of Physics, Columbia University
- Columbia University
-
-
Improving the Accuracy of Diffusion Monte Carlo: Insights from Calculations of High Pressure Solid-Solid Phase Transitions
ORAL
–
Authors
-
L. Shulenburger
- Sandia National Laboratories
-
T. R. Mattsson
- Sandia National Laboratories
-
-
Assessing the connection between charge density and local fields
ORAL
–
Authors
-
Eric Shirley
- NIST
-
-
Anomalous Anharmonic Phonons in PbTe Reproduced from First-Principles Calculations
ORAL
–
Authors
-
Yue Chen
- Columbia University in the City of New York
-
Chris Marianetti
- Columbia University
- Columbia University in the City of New York
- Department of Applied Physics and Applied Mathematics, Columbia University
- Department of Applied Physics and Applied Math
-
-
Endohedral fullerene as acceptor: A DFT study on charge transfer states of Sc$_3$N@C$_{80}$-porphyrin complex
ORAL
–
Authors
-
Fatameh Amerikheirabadi
- University of Texas at El Paso
-
Luis Basurto
- University of Texas at El Paso
-
Rajendra Zope
- University of Texas at El Paso
-
Tunna Baruah
- University of Texas at El Paso
-
-
ABSTRACT WITHDRAWN
–
-
Melting of ice simulated by a multicanonical method combined with a first-principles calculation
ORAL
–
Authors
-
Yoshihide Yoshimoto
- Department of Applied Mathematics and Physics, Graduate School of Engineering, Tottori University
-
-
DCA$^+$: Incorporating self-consistently a continuous momentum self-energy in the Dynamical Cluster Approximation
ORAL
–
Authors
-
Peter Staar
- ETH Zurich
-
Thomas Maier
- Oak Ridge National Lab
- Oak Ridge National Laboratory
-
Thomas C. Schulthess
- ETH Zurich
- Institute for Theoretical Physics, ETH Zurich
-
-
Polaron Localization in Conjugated Polymers by Hybrid DFT Methods
ORAL
–
Authors
-
Nan Shao
- Brookhaven National Laboratory
-
Qin Wu
- Brookhaven National Laboratory
-