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- W2773987020 abstract "In this work, we assess the accuracy of dielectric-dependent hybrid density functionals and many-body perturbation theory methods for the calculation of electron affinities of small water clusters, including hydrogen-bonded water dimer and water hexamer isomers. We show that many-body perturbation theory in the G$_0$W$_0$ approximation starting with the dielectric-dependent hybrid functionals predicts electron affinities of clusters within 0.1 eV of the coupled-cluster results with single, double, and perturbative triple excitations." @default.
- W2773987020 created "2017-12-22" @default.
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- W2773987020 date "2017-11-29" @default.
- W2773987020 modified "2023-09-27" @default.
- W2773987020 title "Electron affinities of water clusters from density-functional and many-body-perturbation theory" @default.
- W2773987020 hasPublicationYear "2017" @default.
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