Artículos de revistas
Cross sections and asymmetry parameters for photoionization of CH3F in the VUV region
Registro en:
Chemical Physics. Elsevier Science Bv, v. 358, n. 41671, n. 96, n. 102, 2009.
0301-0104
WOS:000265005300017
10.1016/j.chemphys.2008.12.028
Autor
dos Santos, AS
Machado, LE
Lee, MT
Brescansin, LM
Lucchese, RR
Institución
Resumen
Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) Calculated cross sections and asymmetry parameters for photoionization of the three outermost valence orbitals of CH3F for photon energies from near threshold to 50 eV are reported. The photoelectron continuum orbitals are obtained using the Schwinger variational method at the level of static-exchange plus correlation potential. Our results are compared with other theoretical and experimental results showing a good quantitative agreement. Correlation effects do not significantly affect the computed total cross sections and photoelectron asymmetry parameters. The broader structure that appears in the experimental cross section are well described. However, the narrow resonant features near threshold are not found in the present one-electron treatment of the photoionization process. (c) 2009 Elsevier B.V. All rights reserved. 358 41671 96 102 Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) Robert A. Welch Foundation [A-1020] Texas A&M University Supercomputing Facility Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) FAPESP [04/13714-2] Robert A. Welch Foundation [A-1020]