Modelling excited states of weakly bound complexes with density functional theory

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Modelling excited states of weakly bound complexes with density functional theory

The binding within the ethene-argon and formaldehyde-methane complexes in the ground and electronically excited states is studied with equation of motion coupled cluster theory (EOM-CCSD), second-order Møller-Plesset perturbation theory (MP2) and density functional theory with dispersion corrections...

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Bibliographic Details
Main Authors:	Briggs, Edward A., Besley, Nicholas A.
Format:	Article
Published:	Royal Society of Chemistry 2014
Subjects:	density functional theory
Online Access:	https://eprints.nottingham.ac.uk/29977/

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