Derivation of the supermolecular interaction energy from the monomer densities in the density functional theory

Chemical Physics Letters

Volumn 486, Issue 4-6, 2010, Pages 160-165

  Rajchel, Łukasz ^a,b   Zuchowski, Piotr S ^c   Szczȩśniak, Małgorzata M ^a   Chałasiński, Grzegorz ^b  

^a OAKLAND UNIVERSITY   (United States)

^b UNIVERSITY OF WARSAW   (Poland)

^c DURHAM UNIVERSITY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BIFUNCTIONAL; FUNCTIONALS; H-BOND COMPLEXES; INTERACTION ENERGIES; KOHN SHAM EQUATIONS; MONOMER DENSITY; NUMERICAL IMPLEMENTATION; ORBITALS; ORTHOGONALITY CONDITIONS; VAN DER WAALS DIMER;

COMPLEXATION; MONOMERS; NEON; OLIGOMERS; VAN DER WAALS FORCES;

DENSITY FUNCTIONAL THEORY;

EID: 75649142867     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.12.083     Document Type: Article

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