Convergence of attenuated second order Møller–Plesset perturbation theory towards the complete basis set limit
✍ Scribed by Goldey, Matthew B.; Head-Gordon, Martin
- Book ID
- 125456082
- Publisher
- Elsevier Science
- Year
- 2014
- Tongue
- English
- Weight
- 563 KB
- Volume
- 608
- Category
- Article
- ISSN
- 0009-2614
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## Abstract The potential energy surface for the C~20~–He interaction is extrapolated for three representative cuts to the complete basis set limit using second‐order Møller–Plesset perturbation calculations with correlation consistent basis sets up to the doubly augmented variety. The results both
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.