University of Lincoln, UK

Paper in Journal of Chemical Physics

New paper published in the Journal of Chemical Physics. It looks at an old problem of accurately calculating energies of charged species in an infinite (periodically repeating) crystal.

JCPfig1

The 1/r dependence of the coulomb interactions makes this non-trivial. Tom Durrant, a PhD student at UCL in Alex Shluger’s group, has done painstaking work to unify several previous, somewhat ad hoc, approaches.

Categorised in: Science, Updates

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