Charge and spin fluctuations in the density functional theory
✍ Scribed by B.L. Györffy; A. Barbieri; J.B. Staunton; W.A. Shelton; G.M. Stocks
- Publisher
- Elsevier Science
- Year
- 1991
- Tongue
- English
- Weight
- 719 KB
- Volume
- 172
- Category
- Article
- ISSN
- 0921-4526
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
A spin-annihilation technique for a single determinant formed from Kohn-Sham orbitals is described for the calculation of excited state singlet energies. This procedure accurately calculates the 1 IB u ~ 1 lAg vertical transition for s-trans-l,3butadiene using the Becke-Lee-Yang Parr (BLYP) function
Using a generalized random phase approach quantum fluctuations beyond the helical mean-field states of the Hubbard model off half filling are discussed. The collective mode spectrum is shown to exhibit spin-charge mixing and is found to be strongly renormalized by coupling to low-energy incoherent p