Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5374655 | Chemical Physics | 2011 | 8 Pages |
Abstract
⺠We assess the Localized Hartree-Fock with exchange-only kernel (LHFX) approach, which is free from the Self-Interaction-Error (SIE) and from empirical parameters, for a large database of singlet and triplet excitation energies. ⺠We find that the LHFX method outperforms the state-of-the-art hybrid TD-DFT approaches. ⺠The LHFX method provides the same accuracy for all different classes of excitations.
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Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
F. Della Sala, E. Fabiano,