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<i>Ab initio</i>calculations of the cohesive, elastic, and dynamical properties of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">CoSi</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>by pseudopotential and all-electron techniques
Robert Stadler, W. Wolf, R. Podloucky, Kresse Georg, J. Furthmüller, J. Häfner (1996). <i>Ab initio</i>calculations of the cohesive, elastic, and dynamical properties of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">CoSi</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>by pseudopotential and all-electron techniques. Physical review. B, Condensed matter, 54(3), pp. 1729-1734, DOI: 10.1103/physrevb.54.1729.
Article180 days ago<b><i>Ab initio</i></b>studies of the (100), (110), and (111) surfaces of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">CoSi</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>
Robert Stadler, R. Podloucky, Kresse Georg, J. Häfner (1998). <b><i>Ab initio</i></b>studies of the (100), (110), and (111) surfaces of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">CoSi</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>. Physical review. B, Condensed matter, 57(7), pp. 4088-4098, DOI: 10.1103/physrevb.57.4088.
Article170 days agoTransport coefficients of liquids from first principles
Robert Stadler, Dario Alfè, Kresse Georg, G. A. de Wijs, M. J. Gillan (1999). Transport coefficients of liquids from first principles. Journal of Non-Crystalline Solids, 250-252, pp. 82-90, DOI: 10.1016/s0022-3093(99)00214-8.
Article170 days agoFirst-principles molecular dynamics studies of liquid selenium close to the critical point
Robert Stadler, Kresse Georg, M. J. Gillan (1999). First-principles molecular dynamics studies of liquid selenium close to the critical point. Journal of Physics Condensed Matter, 11(50), pp. 10211-10218, DOI: 10.1088/0953-8984/11/50/313.
Article170 days ago