An effective hopping model for weakly interacting π systems: Electronic structure of stacked polyaromatic hydrocarbons

International Journal of Quantum Chemistry

Volumn 84, Issue 2, 2001, Pages 216-225

  Lázár, Armand ^a   Surján, Péter R ^b   Paulsson, Magnus ^a   Stafström, Sven ^a  

^a EÖTVÖS LORÁND UNIVERSITY   (Hungary)

^b LINKÖPING UNIVERSITY   (Sweden)

Author keywords

Conjugated systems; Intermolecular hopping; Intermolecular Huckel model (IMH); PAHs; Polyacethylene

Indexed keywords

AROMATIC HYDROCARBONS; ELECTRONS; MATHEMATICAL MODELS; MOLECULAR ORIENTATION; ORGANIC POLYMERS;

AB INITIO HARTREE FOCK CALCULATIONS; EFFECTIVE HOPPING INTEGRALS; ELECTRON SYSTEMS; INTERCHAIN HOPPINGS; INTERMOLECULAR HOPPING; TWO DIMENSIONAL GRAPHITIC SHEETS;

MOLECULAR DYNAMICS;

EID: 0035812148     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.1324     Document Type: Conference Paper

References (32)