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A note on coinduction functors between categories of comodules for corings

✍ Scribed by Jawad Y. Abuhlail

Publisher
Springer-Verlag
Year
2005
Tongue
German
Weight
884 KB
Volume
51
Category
Article
ISSN
0430-3202

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A cautionary note on the use of the frozen-core approximation for correlation energy calculations involving alkali metals
✍ Heinz Hofmann; Elke HΓΌnsele; Timothy Clark πŸ“‚ Article πŸ“… 1990 πŸ› John Wiley and Sons 🌐 English βš– 275 KB πŸ‘ 2 views

Test calculations have shown that correlation energies calculated using the frozen-core approximation in programs, such as the Gaussian series, that assume the lowest MOs to be the core orbitals may be significantly in error. Some valence orbitals in systems involving the heavier alkali metals and e