Electron Spin Densities and Density Functional Approximations: Open-Shell Polycyclic Aromatic Hydrocarbons as case study.
2020
The way how different Density Functional Approximations (DFAs) are able to predict, in open shell systems, spin density that is the difference between the density of electrons with spin α and that ...
- Correction
- Source
- Cite
- Save
- Machine Reading By IdeaReader
93
References
4
Citations
NaN
KQI