𝔖 Bobbio Scriptorium
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Relativistic bond length and atomic orbital contractions

✍ Scribed by Christiansen, P.A.; Ermler, W.C.

Book ID
121463748
Publisher
Taylor and Francis Group
Year
1985
Tongue
English
Weight
223 KB
Volume
55
Category
Article
ISSN
0026-8976

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πŸ“œ SIMILAR VOLUMES

On the effect of d orbitals on relativis
On the effect of d orbitals on relativistic bond-length contractions
✍ P. PyykkΓΆ; J.G. Snijders; E.J. Baerends πŸ“‚ Article πŸ“… 1981 πŸ› Elsevier Science 🌐 English βš– 532 KB

Sd AOs are found to dunuush tie usual relatlbsuc bond-length contraction m some hydrides. This IS shown to be a first-order effect. unrelated to the relatrvlstlc expansion of Sd AOs, by both the perturbatlve Duac-Fock one-center expanaon and Hartrse-Fock-Slater methods. The latter method IS used to