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Zur eindeutigkeit der darstellungen von energiehyperflachen
Author(s) -
Preuss H.
Publication year - 1969
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560030116
Subject(s) - physics , atomic nucleus , charge (physics) , electron , effective nuclear charge , atomic number , atomic physics , statistical physics , quantum mechanics , theoretical physics
The first part of this paper gives an introduction of different kinds of atomic associations. Furthermore it will be shown that partial systems of united atoms are not only described by their nuclear‐charge number, but additionally by their number of electrons. Both characteristics of a partial system of atomic associations may lead to an apparent multiple‐valuedness in the transitions between atomic associations. It is shown that the multiple‐valuedness of the atomic associations can be understood and eliminated within the Born–Oppenheimer‐approximation, which leads to the concept “energyhypersurface”. An example is given by the system {He, H, H, H} + .