Polarizabilities of carbon nanotubes: Importance of the crystalline orbitals relaxation in presence of an electric field

International Journal of Quantum Chemistry

Volumn 111, Issue 4, 2011, Pages 797-806

  Ehinon, Daniel ^a   Baraille, Isabelle ^a   Rérat, Michel ^a  

^a UNIVERSITÉ DE PAU ET DES PAYS DE L'ADOUR   (France)

Author keywords

ab initio calculation; nanotube of carbone; polarizability

Indexed keywords

AB INITIO CALCULATIONS; BAND GAPS; COUPLED METHOD; DEPOLARIZATION EFFECTS; LINEAR-RESPONSE THEORY; LOCAL FIELDS; LOCAL-FIELD EFFECTS; ORBITAL RELAXATION; ORBITALS; POLARIZABILITIES; STATIC POLARIZABILITIES; SUM OVER STATE;

CALCULATIONS; CARBON NANOTUBES; CRYSTALLINE MATERIALS; ELECTRIC FIELDS; POLARIZATION; SYSTEMS ENGINEERING;

SINGLE-WALLED CARBON NANOTUBES (SWCN);

EID: 78650603028     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22858     Document Type: Article

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