Dispersion Corrected Structural Properties and Quasiparticle Band Gaps of Several Organic Energetic Solids

Journal of Physical Chemistry A

Volumn 119, Issue 24, 2015, Pages 6574-6581

  Appalakondaiah, S ^a   Vaitheeswaran, G ^a   Lebegue S ^b  

^a UNIVERSITY OF HYDERABAD   (India)

^b UNIVERSITÉ DE LORRAINE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; DISPERSIONS; ELECTRONIC PROPERTIES; GROUND STATE; HYDROGEN BONDS; VAN DER WAALS FORCES;

AB INITIO CALCULATIONS; DISPERSION CORRECTION; ENERGETIC PROPERTIES; QUASIPARTICLE BAND STRUCTURES; QUASIPARTICLE CALCULATIONS; SELF-CONSISTENT SCREENING; STRUCTURAL AND ELECTRONIC PROPERTIES; VAN DER WAALS INTERACTIONS;

ENERGY GAP;

EID: 84934903651     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/acs.jpca.5b04233     Document Type: Article

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