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- W2114940218 endingPage "3111" @default.
- W2114940218 startingPage "3103" @default.
- W2114940218 abstract "Abstract Static longitudinal polarizabilities (α) and second hyperpolarizabilities (γ) of model H 2 chains have been calculated at different ab initio levels to address the performance of the recently proposed spin‐component‐scaled MP2 (SCS‐MP2) method (Grimme, J. Chem Phys 2003, 118, 9095). For both α and γ, the SCS‐MP2 method improves over the MP2 results in comparison with reference values evaluated at the CCSD(T) level. Differences from the reference are in the range of 4–6% for α and 1–4% for γ. In the case of γ, the SCS‐MP2 scheme improves not only over MP2 but also MP4 and CCSD. Further studies are needed on π‐conjugated systems to evaluate the generality of these results. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2009" @default.
- W2114940218 created "2016-06-24" @default.
- W2114940218 creator A5002727198 @default.
- W2114940218 creator A5034440812 @default.
- W2114940218 date "2009-04-30" @default.
- W2114940218 modified "2023-10-16" @default.
- W2114940218 title "Polarizabilities and second hyperpolarizabilities of hydrogen chains using the spin‐component‐scaled Møller–Plesset second‐order method" @default.
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