Bulletin of the American Physical Society
APS March Meeting 2012
Volume 57, Number 1
Monday–Friday, February 27–March 2 2012; Boston, Massachusetts
Session D35: Focus Session: DFT II: Molecular Conductance; Charge Transfer
2:30 PM–5:30 PM,
Monday, February 27, 2012
Room: 107B
Sponsoring
Unit:
DCP
Chair: Arindam Chakraborty, Syracuse University
Abstract ID: BAPS.2012.MAR.D35.10
Abstract: D35.00010 : Assessing the fitness of various exchange-correlation functionals for TD-DFT studies of charge-transfer excitations in organic dyes*
4:42 PM–4:54 PM
Preview Abstract Abstract
Authors:
Pratibha Dev
(School of Chemical \& Bioprocess Engineering, University College Dublin)
Saurabh Agrawal
(School of Chemical \& Bioprocess Engineering, University College Dublin)
Niall English
(School of Chemical \& Bioprocess Engineering, University College Dublin)
Collaboration:
SEC Strategic Cluster
*We acknowledge the computational support provided by ICHEC. PD acknowledges financial support for this work through EMPOWER fellowship granted by IRCSET. SA is supported by the Science Foundation Ireland under Grant No. [07/SRC/B1160].
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2012.MAR.D35.10
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