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Natural division and its gradation

Although the notion of interaction energy is of great practical value, its theoretical meaning is a little bit fuz. Right at the beginning we have a question interaction of what We view the qfstem as composed of particular subsystems, that once isolated, then have to be put together. [Pg.684]

In addition the system might be considered as composed of a hydrogen molecule interacting with two OH radicals  [Pg.685]

Choice of subsystems is of no importance from the point of view of mathematics, but is of crucial importance from the point of view of calculations in theoretical chemistry. [Pg.685]

The particular choice of subsystem should depend on the kind of experiment with which we wish to compare our calculations  [Pg.685]

Let us stress, that in any case when choosing subsystems we are forced to single out particular atoms belonging to subsystem A and B. It is not sufficient to define the kind of molecules participating in the interaction, see our examples I and II. [Pg.685]


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Gradation

Natural division

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