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...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Royal Society of Chemistry
2014
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| Online Access: | http://eprints.nottingham.ac.uk/29977/ http://eprints.nottingham.ac.uk/29977/ http://eprints.nottingham.ac.uk/29977/ http://eprints.nottingham.ac.uk/29977/1/disp.pdf |