Competition between predissociative and radiative decays in thee3Σu+and

On the Calculation of Resonances in Pre-Born–Oppenheimer Molecular Structure Theory

“…The lifetimes of rotational–vibrational levels corresponding to the e 3 ∑ u + state were measured in delayed coincidence experiments, which include both the radiative and predissociative decay channels accessible from these levels. In the same work the competition of the two decay channels was investigated using ab initio (full configuration interaction electronic wave functions using Gaussian-type orbitals and an accurate adiabatic potential energy curve) as well as quantum defect theory with a one-channel approximation . According to these calculations the predissociative lifetimes are of the order of 1 μs and 100 ns for the v = 0 and v = 1 vibrational levels, respectively, for the e 3 ∑ u + state with N = 0.…”

“…as well as quantum defect theory with a one-channel approximation. 84 According to these calculations the predissociative lifetimes are of the order of 1 µs and 100 ns for the v = 0…”

“…81 We consider however the given imaginary parts as estimates to their accurate values, and all we can conclude at this point is that the obtained imaginary parts are of the order of 10 can be calculated to these levels, for example using the recently developed nonadiabatic perturbation theory by Pachucki and Komasa. 72,83 The lifetimes of rotational-vibrational levels corresponding to the e 3 Σ + u state were measured in delayed coincidence experiments, 84 which include both the radiative and predissociative decay channels accessible from these levels. In the same work the competition of the two decay channels were investigated using ab initio (full configuration interaction electronic wave functions using Gaussian-type orbitals and an accurate adiabatic potential energy curve 70 )…”

Isotope dependence of thec3Πu−b3Σ${}_{u}^{+}$ andD1Π${}_{u}^{+}$−B′1Σ${}_{u}^{+}$ predissociation rates of molecular hydrogen

“…The predissociation of the e u 3 S + state by the b u 3 S + state and the d u 3 Pstate by the c u 3 Pcontinuum take place by homogeneous non-adiabatic coupling. Kiyoshima et al (1999) found the predissociation rates of e u 3 S + (v) state and d u 3 P -(v4) of H 2 increase rapidly with v; however, the D 2 predissociation rates of the both e u 3 S + and d u 3 Pstates are ∼1000 times slower than their H 2 counterparts. The autoionization rate of the D 2 k u 3 Pstate was found to be at least 18-64 times slower than that of H 2 (Kiyoshima et al 2003).…”

“…The predissociation rates of the low N levels of the c u 3 P + (v=0) state were estimated by Chiu and Bhattacharyya (1979) and LaFleur and Chiu (1986). Kiyoshima et al (1999) investigated the rates of the predissociation of the e u 3 S + state by the b u 3 S + state and the d u 3 Pstate by the c u 3 Pcontinuum. Kiyoshima et al (2003) also calculated predissociation and autoionization of the k u 3 Pstate of H 2 and D 2 .…”