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Phys. Rev. A 67, 052706 (2003) [3 pages]

Photoionization and pseudopotentials

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Romarly F. da Costa*, Marco A. P. Lima, and Luiz G. Ferreira
Instituto de Física Gleb Wataghin, Universidade Estadual de Campinas CP6165, 13083-970, Campinas, São Paulo, Brazil

Received 13 December 2002; published 27 May 2003

Transferability of norm-conserving pseudopotentials to low-energy electron-molecule scattering processes has been very successful [Bettega et al., Phys. Rev. A 47, 1111 (1993)]. In this paper we discuss the possibility of using effective potentials in calculations of valence electrons photoionization cross sections. Through atomic targets, we illustrate that pseudopotentials can be optimized to give cross sections in good agreement with all-electron calculations. The present work represents a first step towards more elaborate computer programs for photoionization of molecular targets containing heavy atoms.

© 2003 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevA.67.052706
DOI:
10.1103/PhysRevA.67.052706
PACS:
32.80.Fb, 71.15.Dx, 33.80.Eh

*Electronic address: roma@ifi.unicamp.br

Electronic address: maplima@ifi.unicamp.br

Electronic address: guima@ifi.unicamp.br