| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382407 | Chemical Physics Letters | 2012 | 8 Pages |
Abstract
⺠Monomer correlation energies not needed in local orbitals and the dispersion approach. ⺠Dispersion approximation valid in range-separated DFT even for hydrogen bonded complexes. ⺠Selection of contributions to the RPA correlation part via mono-excitations useful. ⺠Singles-CI orbital optimization can be formulated and used advantageously in DFT.
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Authors
E. Chermak, B. Mussard, J.G. Ángyán, P. Reinhardt,