What Do the Kohn−Sham Orbitals and Eigenvalues Mean?
Kohn−Sham orbitals and eigenvalues are calculated with gradient-corrected functionals for a set of small molecules (H2O, N2, CrH66-, and PdCl42-), varying basis sets and functio...
Publications
1 shownFrequent Co-Authors
Researcher Info
- h-index
- 1
- Publications
- 1
- Citations
- 666
- Institution
- Cornell University
External Links
Identifiers
- ORCID
- 0000-0001-5369-6046
Impact Metrics
h-index
1
h-index: Number of publications with at least h citations each.