Application of the dressed time-dependent density functional theory for the excited states of linear polyenes

Journal of Computational Chemistry
Grzegorz Mazur, Radosław Włodarczyk

Abstract

Dressed Time-Dependent Density Functional Theory (Maitra et al., J Chem Phys 2004, 120, 5932) is applied to selected linear polyenes. Limits of validity of the approximation are briefly discussed. The implementation strategy is described. Results for the 2(1)B(u) and 2(1)A(g) states of selected linear polyenes are presented and compared with accessible experimental and theoretical results.

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Citations

Mar 25, 2014·The Journal of Chemical Physics·Eric J Sundstrom, Martin Head-Gordon
Sep 22, 2011·The Journal of Chemical Physics·Peter Elliott, Neepa T Maitra
Apr 14, 2013·The Journal of Chemical Physics·Yu ZhangShaul Mukamel
Apr 6, 2013·The Journal of Chemical Physics·M TassiS Thanos
Aug 17, 2010·The Journal of Chemical Physics·Zhendong Li, Wenjian Liu
Jun 17, 2016·The Journal of Chemical Physics·Neepa T Maitra
Oct 27, 2016·The Journal of Chemical Physics·Haoyu S YuDonald G Truhlar
Aug 1, 2012·ChemistryOpen·Barry Moore, Jochen Autschbach
Sep 2, 2011·Physical Chemistry Chemical Physics : PCCP·Denis JacqueminCarlo Adamo
Dec 28, 2019·Journal of Computational Chemistry·Alireza AziziSamantha Jenkins
Sep 5, 2019·Journal of the Royal Society, Interface·Leszek FiedorMariusz Pilch
Jan 31, 2012·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Carolin König, Johannes Neugebauer
Jun 9, 2020·The Journal of Chemical Physics·Pierre-François Loos, Emmanuel Fromager
Sep 8, 2009·Journal of Chemical Theory and Computation·Robert SendFilip Pawłowski
Feb 24, 2018·The Journal of Physical Chemistry. a·Alan D ChienPaul M Zimmerman
Sep 5, 2019·The Journal of Physical Chemistry Letters·Piotr de Silva
Aug 12, 2014·Journal of Chemical Theory and Computation·Hristina ZhekovaTom Ziegler
Jan 29, 2019·Journal of Chemical Theory and Computation·Pierre-François LoosDenis Jacquemin

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