Seamless and accurate modeling of organic molecular materials

Journal of Physical Chemistry Letters

Volumn 4, Issue 6, 2013, Pages 1028-1033

  Reilly, Anthony M ^a   Tkatchenko, Alexandre ^a  

^a FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT   (Germany)

Author keywords

crystal structure prediction; density functional theory; lattice energy; many body dispersion; van der Waals

Indexed keywords

DENSITY FUNCTIONALS; DISPERSION INTERACTION; LATTICE ENERGIES; MANY-BODY; MOLECULAR MATERIALS; ORGANIC MOLECULAR MATERIAL; SOLID-STATE INTERACTIONS; VAN DER WAALS;

CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTROMAGNETIC DISPERSION; FORECASTING; VAN DER WAALS FORCES;

DISPERSIONS;

EID: 84875490939     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz400226x     Document Type: Article

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