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Zur konstruktion von energiehyperflächen
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.560030117
Subject(s) - hypersurface , chen , center (category theory) , simple (philosophy) , invariant (physics) , mathematics , infinity , physics , pure mathematics , mathematical physics , mathematical analysis , crystallography , chemistry , paleontology , philosophy , epistemology , biology
An analytical approximation for the hypersurface ℰ ( pr ‐approximation) is given using the two‐ and three‐center‐functions p λμ and r μν λ , which is valid for any number N of atoms and is invariant with respect to the number of centers in its analytical structure (rule of construction). This is valid too if N is reduced either by the association of atoms or by transitions to infinity. p λμ can be fixed by two‐center‐systems. But r μν λis still free except for the fulfilling of some simple requirements. The rule of construction proposed for ℰ is an example for using so‐called analytical computers.