Ab initioDetermination ofFem57Quadrupole Moment from Mössbauer Data

Autor:	K. C. Mishra, T. P. Das, K. J. Duff
Rok vydání:	1981
Předmět:	Physics Field (physics) Mössbauer effect Q value Electric field Quadrupole Hartree–Fock method Ab initio Analytical chemistry General Physics and Astronomy Atomic physics Wave function
Zdroj:	Physical Review Letters. 46:1611-1614
ISSN:	0031-9007
DOI:	10.1103/physrevlett.46.1611
Popis:	A new determination of the /sup 57/Fe/sup m/ quadrupole moment has yielded the value 0.082 b, which is only half of the currently accepted value. The procedure combined first-principles calculation of the field gradients at the Fe nucleus in FeCl/sub 2/ and FeBr/sub 2/ molecules with published quadrupole splittings for those molecules trapped in rare-gas matrices. The field gradients are strongly influenced by iron 3p covalency.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::abd76112348d1e029a0b616896d095c8 https://doi.org/10.1103/physrevlett.46.1611 Zobrazit plný text záznamu