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Is the relativistic contraction of bond lengths an orbital-contraction effect?

✍ Scribed by J.G. Snijders; P. Pyykkö

Book ID
107732364
Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
313 KB
Volume
75
Category
Article
ISSN
0009-2614

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📜 SIMILAR VOLUMES

On the effect of d orbitals on relativis
On the effect of d orbitals on relativistic bond-length contractions
✍ P. Pyykkö; J.G. Snijders; E.J. Baerends 📂 Article 📅 1981 🏛 Elsevier Science 🌐 English ⚖ 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