Multiconfigurational Hartree-Fock close-coupling ansatz: Application to the argon photoionization cross section and delays
2013 (English)In: Physical Review A. Atomic, Molecular, and Optical Physics, ISSN 1050-2947, E-ISSN 1094-1622, Vol. 87, no 2, 023420- p.Article in journal (Refereed) Published
We present a robust, ab initio method for addressing atom-light interactions and apply it to photoionization of argon. We use a close-coupling ansatz constructed on a multiconfigurational Hartree-Fock description of localized states and B-spline expansions of the electron radial wave functions. In this implementation, the general many-electron problem can be tackled thanks to the use of the ATSP2K libraries [C. Froese Fischer et al., Comput. Phys. Commun. 176, 559 (2007)]. In the present contribution, we combine this method with exterior complex scaling, thereby allowing for the computation of the complex partial amplitudes that encode the whole dynamics of the photoionization process. The method is validated on the 3s3p(6)np series of resonances converging to the 3s extraction. Then, it is used for computing the energy dependent differential atomic delay between 3p and 3s photoemission, and agreement is found with the measurements of Guenot et al. [Phys. Rev. A 85, 053424 (2012)]. The effect of the presence of resonances in the one-photon spectrum on photoionization delay measurements is studied. DOI: 10.1103/PhysRevA.87.023420
Place, publisher, year, edition, pages
2013. Vol. 87, no 2, 023420- p.
Atom and Molecular Physics and Optics
IdentifiersURN: urn:nbn:se:su:diva-88697DOI: 10.1103/PhysRevA.87.023420ISI: 000315270200008OAI: oai:DiVA.org:su-88697DiVA: diva2:612895