Phys. Rev. A 63, 012512 (2000) [12 pages]

Influence of the channel interaction on the photoabsorption and photoionization spectra of carbon dioxide

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Ivo Cacelli *
Scuola Normale Superiore, Piazza dei Cavalieri, I-56100 Pisa, Italy

Roberto Moccia and Raffaele Montuoro
Dipartimento di Chimica e Chimica Industriale, Università degli Studi di Pisa, via Risorgimento 35, I-56126 Pisa, Italy

Received 11 July 2000; published 12 December 2000

The integral and the differential photoionization cross sections of carbon dioxide are computed in the random-phase approximation coupled with a K-matrix based technique. The use of special polynomial spherical Gaussian-type orbitals provides an adequate representation of the electronic continuum. Ionization channels originating from occupied valence shell orbitals are considered, both in the separated- and interacting-channel approaches up to a photon energy of 100 eV. An accurate account of the effect of the interaction between the different excitation channels is found to be essential in order to reproduce the features observed in the experimental photoabsorption and photoionization spectra.


©2000 The American Physical Society

URL: http://link.aps.org/doi/10.1103/PhysRevA.63.012512
DOI: 10.1103/PhysRevA.63.012512
PACS: 33.60.Cv, 33.20.-t, 33.80.Eh

* Corresponding author. Email address: ivo @dcci.unipi.it.
Email address: rob @ibm355.dcci.unipi.it
Email address:: raffa @tizoc.dcci.unipi.it

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