The effect of core correlation on computed properties of a set of experimentally well studied first-row compounds has been investigated using augmented coupled cluster (CCSD(T)) methods and specially tailored one-particle basis sets. Core correlation accounts for virtually all the remaining error in
Vibrational fine structure on the core level photoelectron lines of small polyatomic molecules
✍ Scribed by M. Neeb; B. Kempgens; A. Kivima¨ki; H.M. Ko¨ppe; K. Maier; U. Hergenhahn; M.N. Piancastelli; A. Ru¨del; A.M. Bradshaw
- Book ID
- 108437212
- Publisher
- Elsevier Science
- Year
- 1998
- Tongue
- English
- Weight
- 837 KB
- Volume
- 88-91
- Category
- Article
- ISSN
- 0368-2048
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