Prediction of new materials and properties of solids
- 1 April 1986
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 29 (4) , 843-854
- https://doi.org/10.1002/qua.560290422
Abstract
The total‐energy pseudopotential method is described, and some applications are presented with emphasis on the predictive nature of the approach. For several applications, silicon is used as a prototype material, and the successful predictions related to structure and superconductivity at high pressure are discussed.Keywords
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