We show by a detailed computational experiment that the three-particle system of protonated oxygen allows us to study the behavior of curve crossings within the Born-Oppenheimer picture in terms of the relative strength of the couplings that exist between the relevant internal coordinates. In particular, we show that the one- and two-parameter seam found in the C-2V symmetry are reduced-dimensionality manifestations of an intersection that actually becomes a conical seam in the three-parameters C-s symmetry. We further show, then, that no trifurcation point exists in this case since the expected C-s seam of the AB(2)-type systems does not appear in the O2H+ species.
|Titolo:||Internal coordinate couplings and symmetry properties: The search of a conical seam in protonated oxygen|
CEOTTO, MICHELE (Primo)
|Parole Chiave:||Geometric phase; charge-transfer; intersections; states; ozone; energies; dynamics; vicinity; ion; h-3|
|Settore Scientifico Disciplinare:||Settore CHIM/02 - Chimica Fisica|
|Data di pubblicazione:||31-mag-2001|
|Digital Object Identifier (DOI):||10.1021/jp002748+|
|Appare nelle tipologie:||01 - Articolo su periodico|