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pro vyhledávání: '"Fishman, Vladimir"'
For noncovalent interactions (NCIs), the CCSD(T) coupled cluster method is widely regarded as the `gold standard'. With localized orbital approximations, benchmarks for ever larger NCI complexes are being published; yet tantalizing evidence from quan
Externí odkaz:
http://arxiv.org/abs/2410.12603
We have investigated the title question for both a subset of the W4-11 total atomization energies benchmark, and for the A24x8 noncovalent interactions benchmark. Overall, counterpoise corrections to post-CCSD(T) contributions are about two orders of
Externí odkaz:
http://arxiv.org/abs/2408.10034
Publikováno v:
J. Phys. Chem. A 128, 7462-7470 (2024)
Basis set extrapolations are typically rationalized either from analytical arguments involving the partial-wave or principal expansions of the correlation energy in helium-like systems, or from fitting extrapolation parameters to reference energetics
Externí odkaz:
http://arxiv.org/abs/2405.04658
Autor:
Fishman, Vladimir, Fitton, Peter
Publikováno v:
Journal of Fixed Income. Jun97, Vol. 7 Issue 1, p75-84. 10p. 4 Graphs.
