Computer simulations of chemisorption Academic Article uri icon


  • Green's function techniques and tight-binding Hamiltonians provide a very versatile approach to the electronic properties of surfaces, as demonstrated in the pioneering work of Professor Kouteck√Ĺ. Here we show that the same general approach is useful for studies of atomic and molecular motion at surfaces; i.e., one can reliably perform molecular dynamics simulations of the various processes that occur when atoms, atomic clusters, or molecules impinge on a solid surface. ¬© 1988, Pergamon Press plc. All rights reserved.

author list (cited authors)

  • Menon, M., & Allen, R. E.

citation count

  • 2

publication date

  • January 1987