Convergence of third order correlation energy in atoms and molecules
We have investigated the convergence of third order correlation energy within the hierarchies of correlation consistent basis sets for helium, neon, and water, and for three stationary points of hydrogen peroxide. This analysis confirms that singlet pair energies converge much slower than triplet pa...
| Publié dans: | Journal of computational chemistry. - 1984. - 28(2007), 2 vom: 30. Jan., Seite 547-54 |
|---|---|
| Auteur principal: | |
| Autres auteurs: | , |
| Format: | Article |
| Langue: | English |
| Publié: |
2007
|
| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article |