Hieringer W, Görling A (2006)
Publication Type: Journal article, Original article
Publication year: 2006
Original Authors: Hieringer W., Görling A.
Publisher: Elsevier
Book Volume: 426
Pages Range: 234-236
DOI: 10.1016/j.cplett.2006.05.078
We confirm our view that zero or small overlap between individual subsystems of a larger system due to spatial separation causes a failure of present-day time-dependent density-functional theory methods for certain excitation energies. This view, very generally, covers typical charge-transfer excitations between a donor and an acceptor as first analysed by Dreuw and Head-Gordon, excitations in symmetric supersystems with spatially well-separated components without donor-acceptor character, as well as cases lying inbetween. © 2006 Elsevier B.V. All rights reserved.
APA:
Hieringer, W., & Görling, A. (2006). Reply to Comment on 'Failure of time-dependent density functional methods for excitations in spatially separated systems' by Andreas Dreuw and Martin Head-Gordon. Chemical Physics Letters, 426, 234-236. https://dx.doi.org/10.1016/j.cplett.2006.05.078
MLA:
Hieringer, Wolfgang, and Andreas Görling. "Reply to Comment on 'Failure of time-dependent density functional methods for excitations in spatially separated systems' by Andreas Dreuw and Martin Head-Gordon." Chemical Physics Letters 426 (2006): 234-236.
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