The first and second static electronic hyperpolarizabilities of zigzag boron nitride nanotubes. An ab initio approach through the coupled perturbed Kohn-Sham scheme

Journal of Physical Chemistry A

Volumn 115, Issue 45, 2011, Pages 12631-12637

  Orlando, Roberto ^a   Bast, Radovan ^b   Ruud, Kenneth ^b   Ekström, Ulf ^c   Ferrabone, Matteo ^d   Kirtman, Bernard ^e   Dovesi, Roberto ^d  

^a UNIVERSITY OF EASTERN PIEDMONT   (Italy)

^b UNIVERSITY OF TROMSØ   (Norway)

^c UNIVERSITY OF OSLO   (Norway)

^d UNIVERSITY OF TURIN   (Italy)

^e UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO APPROACH; APPLIED FIELD; BN NANOTUBE; BORON NITRIDE NANOTUBES; COMPUTATIONAL SCHEMES; ELECTRIC SUSCEPTIBILITY; FUNCTIONALS; HYPERPOLARIZABILITIES; KOHN-SHAM SCHEME; LONGITUDINAL COMPONENTS; POLARIZABILITY TENSOR; SECOND HYPERPOLARIZABILITIES; SECOND ORDERS; SELF-CONSISTENT TREATMENT; TENSOR COMPONENTS; THIRD-ORDER; TRANSVERSE DIRECTIONS; UNIT CELLS;

BORON; CALCULATIONS; MONOLAYERS; NANOTUBES; NITRIDES;

TENSORS;

BORON DERIVATIVE; ELBOR; NANOTUBE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRON; QUANTUM THEORY;

BORON COMPOUNDS; ELECTRONS; MODELS, MOLECULAR; NANOTUBES; QUANTUM THEORY;

EID: 80855140389     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp203237m     Document Type: Article

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