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The Art of Molecular Dynamics Simulation, Second Edition by D. C. Rapaport

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12

Many-body interactions

12.1 Introduction

The range of problems amenable to study using MD knows few bounds and as computers become more powerful the range continues to expand. Because of the enormous breadth of the subject, we have chosen to concentrate on the simplest of systems and avoid overly specialized models. Most of the case studies up to this point have been based on short-ranged, two-body interactions; within this framework a considerable variety of problems can be studied, but a few conspicuous gaps remain. Pair potentials have their limitations, and while certain kinds of intermolecular interaction can be imitated by the appropriate combinations of pair potentials, it is sometimes essential to introduce many-body interactions to ...

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