Relativistic nuclear magnetic resonance chemical shifts of heavy nuclei with pseudopotentials and the zeroth-order regular approximation

Journal of Chemical Physics

Volumn 118, Issue 13, 2003, Pages 5746-5753

  Yates, Jonathan R ^a   Pickard, Chris J ^a   Payne, Mike C ^a   Mauri, Francesco ^b  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b UNIVERSITÉ PIERRE ET MARIE CURIE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CALCULATIONS; DEGREES OF FREEDOM (MECHANICS); HAMILTONIANS; ISOTOPES; MOLECULES; NUCLEAR MAGNETIC RESONANCE; PROBABILITY DENSITY FUNCTION; RELATIVITY; SELENIUM; TELLURIUM; XENON;

CHEMICAL SHIELDING; CHEMICAL SHIFTS; DIRAC EQUATION; HEAVY ELEMENTS; HEAVY NUCLEI; PSEUDOPOTENTIALS; ZEROTH ORDER REGULAR APPROXIMATION;

ELECTRONS;

EID: 0037396741     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1541625     Document Type: Article

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