Many-atom interactions in solids: proceedings of the international workshop, Pajulahti, Finland, June 5-9, 1989
This book, of interest to researchers and advanced students of theoretical condensed matter physics, reports on the rapidly developing field of calculation of total energies and interatomic interactions in solids. The various contributions present exact and approximate schemes for obtaining realistic many-atom interactions, describe applications in static and dynamic computer simulations of low-symmetry systems, and discuss in detail embedded-atom models, tight-binding models, and ab initio molecular dynamics.
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Introduction to ManyAtom Interactions in Solids
The EffectiveMedium Theory
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alloy approximation atoms band binding energy bond length bulk modulus chemisorption clusters cohesive energy cohesive function computer simulations configuration contribution coordination number correction defect density functional density functional theory dependence distance dumbbell Editors effective medium theory electron density electrostatic embedding density embedding energy embedding function equilibrium experimental Figure Finnis forces Friedel oscillations geometry homogeneous electron gas hydrogen Interactions in Solids interstitial J.Hafner jellium lattice constant layer Lett liquid M. I. Baskes M. S. Daw M.J. Puska Manninen melting metallic systems method migration model GPT molecular dynamics N0rskov nearest neighbour obtained one-electron energy overlayer oxygen pair potential parameters perturbation theory phase phonon potential energy surface Proceedings in Physics properties pseudopotential R.M. Nieminen relaxation repulsive S. M. Foiles silicon simulated annealing Springer Proceedings substrate surface temperature total energy transition metals two-body potential vacancy formation energy valence volume