Atomic clusters and nanoparticles. Agregats atomiques et nanoparticules

Volume 73 of the series Les Houches - Ecole d’Ete de Physique Theorique pp 437-507


Energy Landscapes

  • D. J. WalesAffiliated withUniversity Chemical Laboratories

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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.