Influence of the Delocalization Error and Applicability of Optimal Functional Tuning in Density Functional Calculations of Nonlinear Optical Properties of Organic Donor–Acceptor Chromophores
Article first published online: 11 JUN 2013
Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Volume 14, Issue 11, pages 2450–2461, August 5, 2013
How to Cite
Sun, H. and Autschbach, J. (2013), Influence of the Delocalization Error and Applicability of Optimal Functional Tuning in Density Functional Calculations of Nonlinear Optical Properties of Organic Donor–Acceptor Chromophores. ChemPhysChem, 14: 2450–2461. doi: 10.1002/cphc.201300256
- Issue published online: 29 JUL 2013
- Article first published online: 11 JUN 2013
- Manuscript Revised: 20 APR 2013
- Manuscript Received: 13 MAR 2013
- China Scholarship Council. Grant Number: CHE-0952253
- National Science Foundation
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