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Chemical Physics Letters, Vol.372, No.1-2, 1-7, 2003
Absorption cross-section of the C2H molecule: proper treatment of the conical intersection
In this Letter we study the influence of proper treatment of the conical intersection on photo-absorption cross-section of the C2H molecule. The treatment is based on the diabatization of the adiabatic potentials employing the adiabatic-to-diabatic transformation. To facilitate the calculations we adopt a simple two-dimensional model. (C) 2003 Elsevier Science B.V. All rights reserved.