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Can coupled-cluster methods be used to describe excited states of the building blocks of DNA?

✍ Scribed by Szalay, Péter G.


Book ID
120446675
Publisher
John Wiley and Sons
Year
2013
Tongue
English
Weight
311 KB
Volume
113
Category
Article
ISSN
0020-7608

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An application of the equation-of-motion
✍ Steven R. Gwaltney; Rodney J. Bartlett 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 628 KB

The equation-of-motion coupled cluster method is used to describe the electronic excitation spectra of the model carbonyl compounds, formaldehyde, acetaldehyde, and acetone. For the first few valence states and for the n = 3 Rydberg states, the average error for the vertical excitation energies is 0