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Prediction of new materials and properties of solids (1986)

Cohen, Marvin L.

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 29 (1986), S. 843-854

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ISSN: 0020-7608

Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: 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.

Additional Material: 9 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560290422

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