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Kohn–Sham theory of an atomic Fermi gas

✍ Scribed by Guilherme S. Nunes


Book ID
108241077
Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
77 KB
Volume
372
Category
Article
ISSN
0375-9601

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Excitation energies of benzene from Kohn
✍ Handy, Nicholas C.; Tozer, David J. 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 166 KB 👁 1 views

Singlet and triplet vertical excitation energies are determined for benzene using time-dependent Kohn᎐Sham density functional theory. The potential of the HCTH continuum functional is explicitly corrected, using a recently developed procedure, to impose the appropriate y1rr q C asymptotic Ž U . Ž .