How Accurate Are DFT Treatments of Organic Energies?
Increasing awareness that popular functionals fail to describe many energies accurately has ended expectations of black-box DFT usage. The performance of nine density functional...
Publications
2 shownSystematic Errors in Computed Alkane Energies Using B3LYP and Other Popular DFT Functionals
[structure: see text] Energies computed by B3LYP and other popular DFT functionals are flawed by systematic errors, which can become considerable for larger molecules. These err...
Frequent Co-Authors
Researcher Info
- h-index
- 2
- Publications
- 2
- Citations
- 685
- Institution
- University of Georgia
External Links
Identifiers
- ORCID
- 0000-0002-6006-671X
Impact Metrics
h-index
2
h-index: Number of publications with at least h citations each.