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A new implementation of the second-order polarization propagator approximation (SOPPA): The excitation spectra of benzene and naphthalene

✍ Scribed by Packer, Martin J.; Dalskov, Erik K.; Enevoldsen, Thomas; Jensen, Hans Jo̸rgen Aa.; Oddershede, Jens


Book ID
127297220
Publisher
American Institute of Physics
Year
1996
Tongue
English
Weight
451 KB
Volume
105
Category
Article
ISSN
0021-9606

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Determination of excitation energies and
✍ Jens Oddershede; Poul Jørgensen; Nelson H. F. Beebe 📂 Article 📅 1977 🏛 John Wiley and Sons 🌐 English ⚖ 684 KB

## Abstract Excitation energies and transition moments have been determined from a second order polarization propagator and the effect of including energy shifted denominators has been investigated. Results for Be and CH^+^ show a change of 2–5% for the transition moments and of 0–20% for the singl