Artículos de revistas
Photoionization and pseudopotentials
Registro en:
Physical Review A. American Physical Soc, v. 67, n. 5, 2003.
1050-2947
WOS:000183298800058
10.1103/PhysRevA.67.052706
Autor
da Costa, RF
Lima, MAP
Ferreira, LG
Institución
Resumen
Transferability of norm-conserving pseudopotentials to low-energy electron-molecule scattering processes has been very successful [Bettega , 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. 67 5