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.
Assessing Spin-Component-Scaled Second-Order Møller–Plesset Theory Using Anharmonic Frequencies
✍ Scribed by Dr. Dominik Domin; Dr. David M. Benoit
- Publisher
- John Wiley and Sons
- Year
- 2011
- Tongue
- English
- Weight
- 687 KB
- Volume
- 12
- Category
- Article
- ISSN
- 1439-4235
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