Open AccessDensity-functional approaches to noncovalent interactions: A comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals
Author(s) -
Lori A. Burns,
Álvaro Vázquez Mayagoitia,
Bobby G. Sumpter,
C. David Sherrill
Publication year - 2011
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.3545971
Subject(s) - density functional theory , basis set , counterpoise , dipole , physics , ab initio , computational chemistry , binding energy , chemistry , dispersion (optics) , statistical physics , hybrid functional , atomic physics , thermodynamics , quantum mechanics
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