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Conduction-Electron Exchange and Correlation in Pseudopotential Calculations

✍ Scribed by W. F. King III; P. H. Cutler

Publisher
John Wiley and Sons
Year
1970
Tongue
English
Weight
152 KB
Volume
41
Category
Article
ISSN
0370-1972

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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

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## Abstract The influence of electronic exchange and correlation on pseudopotential calculations is discussed within the framework of Harrison's first principles pseudopotential formalism. The XΞ± local exchange and correlation approximation is used for the calculation of the core states and for the