Inside Back Cover: Wavefunction in Density Functional Theory Embedding for Excited States: Which Wavefunctions, which Densities? (ChemPhysChem 15/2014). Issue 15 (20th October 2014)

• Record Type: Journal Article
• Authors: Daday, Csaba; König, Carolin; Neugebauer, Johannes; Filippi, Claudia
• Is Part Of: Chemphyschem. Volume 15:Issue 15(2014)
• Page Start: 3403
• Page End: 3403
• Publication Date: 2014-10-20
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.05
• DOI: 10.1002/cphc.201490075
• Languages: English
• ISSNs: 1439-4235

Abstract

<abstract abstract-type="graphical" xml:lang="en"> <title> <x xml:space="preserve">Abstract</x> </title> <p>Embedding a wave function in density functional theory raises the question of which methods to combine in computing the excitation energies, which depend on the embedding potential and its barriers, as presented on <ext-link ext-link-type="doi" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink">p. 3205</ext-link> by J. Neugebauer, C. Filippi et al.<boxed-text content-type="graphic" position="anchor" orientation="portrait"><graphic position="anchor" mimetype="image" xlink:href="ark:/27927/pgh1fc59b1f" orientation="portrait" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" /></boxed-text></p> </abstract>