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Energy Landscapes

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Atomic clusters and nanoparticles. Agregats atomiques et nanoparticules

Part of the book series: Les Houches - Ecole d’Ete de Physique Theorique ((LHSUMMER,volume 73))

Abstract

This overview of energy landscapes will focus on some rigorous properties of potential energy surfaces (PES’s), especially the symmetry properties of steepest-descent paths, and on thermodynamics and cluster simulation. More detail concerning topics such as visualisation of global PES’s and master equation dynamics may be found in a complementary review [1]. The present notes will also touch upon the Born—Oppenheimer approximation [2], tunnelling and global optimisation, but in rather less detail.

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    D. J. Wales

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C. Guet P. Hobza F. Speigelman F. David

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Wales, D.J. (2001). Energy Landscapes. In: Guet, C., Hobza, P., Speigelman, F., David, F. (eds) Atomic clusters and nanoparticles. Agregats atomiques et nanoparticules. Les Houches - Ecole d’Ete de Physique Theorique, vol 73. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-45621-X_10

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