First-principles approach to the electronic structure in the pentacene thin film polymorph

Journal of Physics Condensed Matter

Volumn 19, Issue 10, 2007, Pages

  Parisse, P ^a   Ottaviano, L ^a   Delley, B ^b   Picozzi, S ^c  

^a UNIVERSITY OF L'AQUILA   (Italy)

^b PAUL SCHERRER INSTITUTE   (Switzerland)

^c INFM   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; MOLECULAR ORBITALS; POLYMORPHISM;

CRYSTALLINE UNIT CELL; HIGHEST OCCUPIED MOLECULAR ORBITAL (HOMO); LOWEST UNOCCUPIED MOLECULAR ORBITAL (LUMO); MOLECULAR STACKING; PENTACENE;

THIN FILMS;

EID: 33947602184     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/19/10/106209     Document Type: Article

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