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Calculation of resonances in the H+H 2 reaction using the faddeev–AGS method
Author(s) -
Kuruoglu Zeki C.,
Micha David A.
Publication year - 2009
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.560360814
Subject(s) - adiabatic process , eigenvalues and eigenvectors , resonance (particle physics) , physics , atomic physics , work (physics) , symmetry (geometry) , collision , valence (chemistry) , quantum , quantum mechanics , chemistry , mathematics , geometry , computer security , computer science
The H+H 2 reactive collision is described quantum mechanically in terms of valence–bond electronic states and the Faddeev–AGS equations for three‐body collisions. The permutational symmetry of identical nuclei is considered within the present approach, which appears to avoid some of the difficulties associated with the use of electronically adiabatic states. A procedure based on the eigenvalue analysis of the K ‐matrix is used to locate resonances. Calculations probing the energy region of the lowest resonance in the H 3 system revealed one with an energy in good agreement with previous work.