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The topological analysis of :
The topological analysis of the gradient field of the electron localization
is a powerful interpretative tool which
enables a position space partition of the electron density of a molecule or of
a solid. It is based on the mathematical theory of the
dynamical systems which is particularly suitable to extract qualitative
information from data. In many respects this approach can be
considered as a good starting point to build a mathematical theory of the
However, as many other tools its use is not as straightforward as it looks at
first glance. There are sometimes traps, cul de sac and
mirages which are tempting for caution less people. This page intend to briefly
address the mathematical background of the
topological analysis and to provide an HOW TO to use it as safely as possible
in chemical applications.