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Journal Article

A partial differential equation which describes an interatomic surface


Delle Site,  L.
MPI for Polymer Research, Max Planck Society;

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Delle Site, L. (2002). A partial differential equation which describes an interatomic surface. IMA Journal of Applied Mathematics, 67(4), 411-417.

Cite as: http://hdl.handle.net/11858/00-001M-0000-000F-6575-9
In this work we present a first-order partial differential equation which defines the topology of single 'atomic entities' in multiatomic systems. Such an equation, obtained by R. F. W. Bader, is here analysed and discussed from a general mathematical point of view; a method is then proposed for defining the initial or boundary condition. With this contribution we would like to promote and stimulate a more detailed analysis which goes beyond practical purposes and basic mathematical analysis in order to have a deeper understanding of the theory behind the equation and its consequences for practical applications.