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Application to Solid Bodies

  • Marcus Elstner,
  • Qiang Cui,
  • Maja Gruden

摘要

We have described molecules in the gas phase using the discrete quantum mechanical representation. We also use this approach for solids. Again, we use models that allow an additive representation of energy; this leads to a product of state sums, which in turn allows the thermodynamic properties to be calculated in a relatively simple way.