Magnetic linear response properties calculations with the Gaussian and augmented-plane-wave method

Journal of Chemical Physics

Volumn 131, Issue 1, 2009, Pages

  Weber, Vaĺry ^a   Iannuzzi, Marcella ^a   Giani, Samuele ^a   Hutter, Jürg ^a   Declerck, Reinout ^b   Waroquier, Michel ^b  

^a UNIVERSITY OF ZURICH   (Switzerland)

^b GHENT UNIVERSITY   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL PERTURBATION THEORY; G TENSORS; GAUSSIAN; LINEAR RESPONSE; NMR CHEMICAL SHIFTS; PLANE WAVE METHODS; QUANTUM MECHANICAL/MOLECULAR MECHANICAL APPROACHES; SMALL MOLECULES;

CHEMICAL SHIFT; DENSITY FUNCTIONAL THEORY; HYDRATES; OXIDE MINERALS; QUARTZ; TENSORS;

PERTURBATION TECHNIQUES;

EID: 67650418241     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3156803     Document Type: Article

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