Vibrational branching ratios for single-photon ionization of Na-2
(1996) Physical review. A, Atomic, molecular, and optical physics — Vol. 53, n° 6, p. 4111-4119 (1996)
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- We report on an ab initio study of the single-photon ionization of Na-2 from the electronic ground state (X(1) Sigma(g)(+)) and subsequent photodissociation of the resulting ion. The calculations are done as a function of of internuclear distance (R=4.5-7.5 a.u.) and for a range of photoelectron energies 0.25-10 eV. The electronic continuum wave functions are determined using the so-called iterative Schwinger method, which is an L(2) method based on a single-center expansion of all relevant operators and wave functions. A Cooper minimum is found in the k pi-continuum's p wave (l=1) around a photoelectron energy of approximately 4.5 eV. This does not, however, lead to significant observable implications for the total cross sections. The subsequent photodissociation of the Na-2(+) ions is calculated using a numerical Numerov method, based on previously calculated data for the molecular potential-energy curves and dipole matrix elements. The spectrum resulting from photodissociation of ions created via photoionization of a thermal distribution of Na-2 molecules is calculated and compared with the recent results of Kortyna et al. [Phys. Rev. A 50, 1399 (1994)]. Excellent agreement is found with the experimental values if the assumed initial temperature of the molecular beam is approximately 50 K, which is substantially colder than previously estimated.
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Rudolph, H., & Urbain, X. (1996). Vibrational branching ratios for single-photon ionization of Na-2. Physical review. A, Atomic, molecular, and optical physics, 53(6), 4111-4119. https://doi.org/10.1103/PhysRevA.53.4111 (Original work published 1996)