Loading...
Communication: A global hybrid generalized gradient approximation to the exchange-correlation functional that satisfies the second-order density-gradient constraint and has broad applicability in chemistry
We extend our recent SOGGA11 approximation to the exchange-correlation functional to include a percentage of Hartree-Fock exchange. The new functional, called SOGGA11-X, has better overall performance for a broad chemical database than any previously available global hybrid generalized gradient appr...
Na minha lista:
| Main Authors: | , |
|---|---|
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
American Institute of Physics
2011
|
| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3248024/ https://ncbi.nlm.nih.gov/pubmed/22112059 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3663871 |
| Tags: |
Tilføj Tag
Ingen Tags, Vær først til at tagge denne postø!
|