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A simplified model for the predissociation of diatomic molecules
Author(s) -
Berrondo M.,
FloresRiveros A.
Publication year - 1978
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.560130311
Subject(s) - diatomic molecule , harmonic oscillator , excited state , potential energy , inverse , harmonic , coupling (piping) , function (biology) , physics , square (algebra) , atomic physics , quantum mechanics , state (computer science) , chemistry , molecule , mathematics , materials science , geometry , algorithm , evolutionary biology , metallurgy , biology
A model consisting of a harmonic oscillator well and a repulsive inverse square potential, coupled by a delta function, is solved. We find the S ‐function for this case and study its poles as a function of the coupling strength. These poles show how the harmonic levels shift and broaden as the two potential curves couple and predissociation occurs. A “new state” is found when the energy threshold is just below the first excited state of the harmonic oscillator.