Mössbauer spectroscopy for heavy elements: A relativistic benchmark study of mercury

Theoretical Chemistry Accounts

Volumn 129, Issue 3-5, 2011, Pages 631-650

  Knecht, Stefan ^a   Fux, Samuel ^b   van Meer, Robert ^c   Visscher, Lucas ^c   Reiher, Markus ^b   Saue, Trond ^d  

^a UNIVERSITÉ DE STRASBOURG   (France)

^b ETH ZURICH   (Switzerland)

^c VU UNIVERSITY AMSTERDAM   (Netherlands)

^d UNIVERSITÉ DE TOULOUSE   (France)

Author keywords

Contact density; Coupled cluster; Density functional theory; Mercury compounds; M ssbauer spectroscopy; Picture change effects; Relativistic quantum chemistry

Indexed keywords

EID: 79955934512     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-011-0911-2     Document Type: Article

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