Back to Search
Start Over
Exact exchange-correlation potentials from ground-state electron densities
- Source :
- Nature Communications, Vol 10, Iss 1, Pp 1-9 (2019)
- Publication Year :
- 2019
- Publisher :
- Nature Portfolio, 2019.
-
Abstract
- The inverse DFT problem of mapping the ground-state density to its exchange correlation potential has been numerically challenging so far. Here, the authors propose an approach for an accurate solution to the inverse DFT problem, enabling the evaluation of exact exchange and correlation potential from an ab initio density.
- Subjects :
- Science
Subjects
Details
- Language :
- English
- ISSN :
- 20411723
- Volume :
- 10
- Issue :
- 1
- Database :
- Directory of Open Access Journals
- Journal :
- Nature Communications
- Publication Type :
- Academic Journal
- Accession number :
- edsdoj.89c41f32c334fe8bb9303a303e212fd
- Document Type :
- article
- Full Text :
- https://doi.org/10.1038/s41467-019-12467-0