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The general analytic expression for S 4 ‐symmetry‐invariant potential functions of tetra‐atomic homonuclear molecules
Author(s) -
Schmelzer A.,
Murrell J. N.
Publication year - 1985
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.560280210
Subject(s) - homonuclear molecule , invariant (physics) , symmetry group , tetra , mathematical physics , permutation (music) , physics , mathematics , molecule , pure mathematics , chemistry , quantum mechanics , geometry , medicinal chemistry , acoustics
The potential energy of a homonuclear X 4 molecule is an invariant of the atom permutation group S 4 acting on the internal coordinates of X 4 . It is shown by means of invariant theory that six algebraically independent invariants and five additional invariants are required to express the general invariant function for this group. Explicit expressions for these 11 invariants are given.