Density-functional approaches to noncovalent interactions: a comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals.
By L. Burns, Á. Mayagoitia, Bobby G. Sumpter, C. David Sherrill. Journal of Chemical Physics, 2011
668 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Molecular Biology, Physical and Theoretical Chemistry
View Paper: https://www.semanticscholar.org/paper/91b096b7fc6351f995ce15bb7b8393a94651cead
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In Atomic and Molecular Physics, and Optics
In Molecular Biology
In Physical and Theoretical Chemistry
Citations in the corpus
- Wavefunction methods for noncovalent interactions (2012, methodology): “The treatment of dispersion in SAPT2+ and higher SAPT methods is similar to that of MP4, which we will denote (2) disp[2], and sums the intramonomer corrections to E((20)) disp through second order:”