𝔖 Bobbio Scriptorium
✦   LIBER   ✦

On the influence of the non-locality of exchange and correlation on the total energy and on the band gap of silicon

✍ Scribed by H. Wiesner; W. Cordts; J. Monecke

Publisher
John Wiley and Sons
Year
1986
Tongue
English
Weight
158 KB
Volume
134
Category
Article
ISSN
0370-1972

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

The Influence of the Non-Locality of Sha
The Influence of the Non-Locality of Shaw's Model Potential on the Band Structure of Be
✍ M. Taut πŸ“‚ Article πŸ“… 1972 πŸ› John Wiley and Sons 🌐 English βš– 482 KB

## Abstract The influence of the non‐locality of Shaw's model potential on the band structure of Be is investigated. A method is given for the treatment of the energy dependence of a linear energy dependent potential. The energy dependence of Shaw's model potential causes an increase of the band wi

On the influence of electronic exchange
On the influence of electronic exchange and correlation on pseudopotential calculations
✍ J. Hafner πŸ“‚ Article πŸ“… 1973 πŸ› John Wiley and Sons 🌐 English βš– 769 KB

## Abstract The influence of different local statistical exchange and correlation approximations for the core‐core and conduction band‐core interactions on a calculation of binding energies and stable crystal structures within Harrison's first principles pseudopotential formalism is discussed. It i

On the optimal mixing of the exchange en
On the optimal mixing of the exchange energy and the electron-electron interaction part of the exchange-correlation energy
✍ Oleg V. Gritsenko; Robert Van Leeuwen; Evert Jan Baerends πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 733 KB

The optimal mixing coefficient C of the exchange energy E x and the electron-electron interaction part of the exchange-correlation energy W : ? in the formula for the total exchange-correlation energy E x , was expressed through the ratio of the kinetic T, and potential W, contributions to the corr