Correlation energies in the spin-density functional formalism
✍ Scribed by Hermann Stoll; Elisabeth Golka; Heinzwerner Preuß
- Publisher
- Springer
- Year
- 1980
- Tongue
- English
- Weight
- 728 KB
- Volume
- 55
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Starting from a formally exact density-functional representation of the frequencydependent linear density response and exploiting the fact that the latter has poles at the true excitation energies, we develop a density-functional method for the calculation of excitation energies. Simple additive cor
Nonlocal contributions to the correlation energy for diatomics are studied. We find a linear dependence on the number of electrons for small molecules when considering the Thomas-Fermi model. A linear dependence of a nonlocal contribution to correlation energy of diatomics on internuclear distance i