Reproducibility in density functional theory calculations of solids
A comparison of DFT methods Density functional theory (DFT) is now routinely used for simulating material properties. Many software packages are available, which makes it challe...
Publications
3 shownSeparable dual-space Gaussian pseudopotentials
We present pseudo-potential coefficients for the first two rows of the periodic table. The pseudo potential is of a novel analytic form, that gives optimal efficiency in numeric...
Transferability of pseudopotentials
Pseudopotentials have become an important tool for the calculation of electronic and structural properties of molecules and solids. The extensive experience with pseudopotential...
Frequent Co-Authors
Researcher Info
- h-index
- 3
- Publications
- 3
- Citations
- 8,544
- Institution
- Max Planck Society
External Links
Identifiers
- ORCID
- 0000-0002-3580-4186
Impact Metrics
h-index
3
h-index: Number of publications with at least h citations each.