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Attenuated second-order Møller–Plesset perturbation theory: performance within the aug-cc-pVTZ basis

✍ Scribed by Goldey, Matthew; Dutoi, Anthony; Head-Gordon, Martin

Book ID
120655810
Publisher
Royal Society of Chemistry
Year
2013
Tongue
English
Weight
615 KB
Volume
15
Category
Article
ISSN
1463-9076

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✍ Fumihiko Aiga; Reikichi Itoh 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 499 KB

The QED-MP2 model based on the quasi-energy derivative method in the second-order Moller-Plesset perturbation theory is formulated, and frequency-dependent (dynamic) polarizabilities [a(-w; o~)] for H20 and NH3 are calculated. Dynamic polarizabilities obtained for HzO agree with experimental values.