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Time-Dependent Density-Functional Theory (GRS)

Gordon-Kenan Research Seminar

August 10 - 11, 2013
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Conference Description

The Gordon Research Seminar on Time-Dependent Density-Functional Theory is a unique forum for graduate students, post-docs, and other scientists with comparable levels of experience and education to present and exchange novel results and cutting edge ideas.

The focus of this meeting is on fundamental aspects of TDDFT, excitations and dynamics in the linear and non-linear regime and coupled electron-ion dynamics from first principles. We invite young researchers engaged in TDDFT and related fields to submit an abstract in one of the following topics: Fundamentals of TDDFT; Functional Developments (memory and non-locality effects, Van der Waals Interactions, etc.); Excitations and dynamics in the linear and non-linear regime (real-time propagation); Non-equilibrium Green's functions, Time-Dependent Reduced-Density-Matrix-Functional Theory, Quantum Continuum Mechanics, Semi-classical approaches; Electron-Nuclei Dynamics; Transport; Photochemistry, Solar Energy Conversation and Optical properties; Novel Algorithms, Implementations and Applications.

The meeting will conclude with a career panel composed of leading scientists in the field of TDDFT.

Related Meeting

This GRS will be held in conjunction with the "Time-Dependent Density-Functional Theory" Gordon Research Seminar (GRS). Those interested in attending both meetings must submit an application for the GRC in addition to an application for the GRS. Refer to the associated GRC program page for more information.

Conference Program

SATURDAY
1:00 pm - 5:00 pmArrival and Check-in
3:30 pm - 3:45 pmIntroductory Comments by GRC Site Staff / Welcome by the GRS Conference Chair
3:45 pm - 4:30 pmTime-Dependent Density-Functional Theory
Discussion Leader: Attila Cangi (Max Planck Institute for Microstructure Physics)
3:45 pm - 4:15 pmCarsten Ullrich (University of Missouri)
"Time-dependent density-functional theory: overview and recent highlights"
4:15 pm - 4:30 pmDiscussion
4:30 pm - 6:00 pmPoster Session I
6:00 pmDinner
7:30 pm - 9:30 pmGround and Excited State Energies and Properties from TDDFT
Discussion Leader: Kay Dewhurst (Max Planck Institute for Microstructure Physics)
7:30 pm - 7:50 pmTim Gould (Griffith University)
"ACFD without response and RPA with screening: kickstarting tdDFT energy calculations"
7:50 pm - 8:00 pmDiscussion
8:00 pm - 8:20 pmMaria Hellgren (SISSA)
"TDDFT for ground-state properties: the exact-exchange kernel and beyond"
8:20 pm - 8:30 pmDiscussion
8:30 pm - 8:45 pmJefferson Bates (University of California, Irvine)
"Systematic Corrections to the Random Phase Approximation"
8:45 pm - 8:50 pmDiscussion
8:50 pm - 9:05 pmZenghui Yang (University of Missouri)
"Direct calculation of exciton binding energies with time-dependent density-functional theory"
9:05 pm - 9:10 pmDiscussion
9:10 pm - 9:25 pmPaolo Trevisanutto (Istituto di Nanoscienze-CNR)
"Time-Dependent Density Functional Theory Exchange-Correlation (XC) kernel obtained from Jellium with Gap model"
9:25 pm - 9:30 pmDiscussion
SUNDAY
7:30 am - 8:30 amBreakfast
9:00 am - 11:00 amTime-Resolved Phenomena
Discussion Leader: Martijn Zwijnenburg (University College London)
9:00 am - 9:20 amEnrico Tapavicza (University of California, Irvine)
"Radiationless decay studied by time-dependent density functional theory"
9:20 am - 9:30 amDiscussion
9:30 am - 9:45 amFederica Agostini (Max Planck Institute for Microstructure Physics)
"Studies on the exact decomposition of electronic and nuclear motion"
9:45 am - 9:50 amDiscussion
9:50 am - 10:05 amSivan Refaely-Abramson (Weizmann Institute of Science)
"Quasiparticle Spectra from a Nonempirical Optimally Tuned Range-Separated Hybrid Density Functional"
10:05 am - 10:10 amDiscussion
10:10 am - 10:25 amJohanna Fuks (Hunter College and the City University of New York)
"Exact correlation potential in non-linear dynamics: importance of non-adiabaticity"
10:25 am - 10:30 amDiscussion
10:30 am - 10:45 amMichael Ruggenthaler (University of Innsbruck)
"Exact time-dependent density functionals with initial-state dependence and memory"
10:45 am - 10:50 amDiscussion
11:00 am - 12:30 pmPoster Session II
Coffee will be served in the poster area from 11:00 am - 11:30 am
12:30 pmLunch
1:30 pm - 2:30 pmCareer Panel
Discussion Leader: Michele Pavanello (Rutgers University)
Panel:
  • Erin Johnson (University of California, Merced)
  • Jeffrey Neaton (Lawrence Berkeley National Laboratory)
  • Lucia Reining (CNRS-CEA, École Polytechnique)
  • Adam Wasserman (Purdue University)
2:30 pm - 3:00 pmEvaluation Period
Fill out GRS Evaluation Forms
3:00 pmGordon Research Seminar ends. For those attending the associated Gordon Research Conference, please check in at the GRC Office beginning at 4:00 pm.

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Conference History Time-Dependent Density-Functional Theory
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