Multichannel quantum defect theory of photodissociation in H2

Abstract

The predissociation profiles of the R(0), R(1) and R(2) lines of the 3pπ1Πu+,v = 3 ←X1Σg+,v′′ = 0 absorption transition in H2 are calculated in a multichannel quantum defect theory approach, implemented on the basis of state-of-the-art potential energy curves (PEC) from the Wolniewicz group. It is shown that the profiles may be very accurately represented by the Fano profile formula although the resonance parameters thus determined do not exactly coincide with the meaning given to them in Fano's original derivation. The recent high-resolution spectrum of the same transitions taken with the SOLEIL synchrotron is well reproduced by the calculations.