QMPOT
QmPot a QM/MM and QM/QM engine. Therefore it allows the description of a large system as a combination of cluster that is treated by quantum mechanics and its environment which is treated by inter atomic potential functions. Moreover, with QmPot two different level quantum mechanics tools can be combined. The success of the method relies on inter atomic potential functions that take the polarizability of atoms or ions of the environment into account. We also take advantage of the fact that the inter atomic potential functions are parameterized on ab initio data.
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