Nuclear shielding constants by density functional theory with gauge including atomic orbitals

Journal of Chemical Physics

Volumn 113, Issue 8, 2000, Pages 2983-2989

  Helgaker, Trygve ^a,b   Wilson, Philip J ^a   Amos, Roger D ^a   Handy, Nicholas C ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b UNIVERSITY OF OSLO   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; COMPUTATIONAL METHODS; COMPUTER SIMULATION; CORRELATION METHODS; INTEGRAL EQUATIONS; MAGNETIC FIELDS; MAGNETIC MOMENTS; MAGNETIC SHIELDING; MOLECULES; NUCLEAR MAGNETIC RESONANCE; PARAMAGNETIC RESONANCE; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY; GENERALIZED GRADIENT APPROXIMATION; HARTREE-FOCK THEORY; NUCLEAR SHIELDING;

NUCLEAR PHYSICS;

EID: 0034702640     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1287056     Document Type: Article

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