Abstract
Spin-component scaled double hybrids including dispersion correction were optimized for many exchange and correlation functionals. Even DSD-LDA performs surprisingly well. DSD-PBEP86 emerged as a very accurate and robust method, approaching the accuracy of composite ab initio methods at a fraction of their computational cost.
| Original language | English |
|---|---|
| Pages (from-to) | 20104-20107 |
| Number of pages | 4 |
| Journal | Physical Chemistry Chemical Physics |
| Volume | 13 |
| Issue number | 45 |
| DOIs | |
| State | Published - 7 Dec 2011 |
| Externally published | Yes |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry