Analytic calculation of isotropic hyperfine structure constants using the normalized elimination of the small component formalism

Journal of Physical Chemistry A

Volumn 116, Issue 13, 2012, Pages 3481-3486

  Filatov, Michael ^a   Zou, Wenli ^b   Cremer, Dieter ^b  

^a UNIVERSITY OF BONN   (Germany)

^b SOUTHERN METHODIST UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO METHOD; ANALYTIC CALCULATIONS; HYPERFINE STRUCTURE; NORMALIZED ELIMINATION OF THE SMALL COMPONENTS; OPEN-SHELL MOLECULES; PARAMAGNETIC MOLECULES;

MERCURY (METAL); MOLECULES; PARAMAGNETISM;

CALCULATIONS;

EID: 84859595830     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp301224u     Document Type: Article

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