Artículos de revistas
A theoretical study on the photoionization of the valence orbitals of phosphine
Registro en:
Journal Of The Brazilian Chemical Society. Soc Brasileira Quimica, v. 17, n. 1, n. 162, n. 167, 2006.
0103-5053
WOS:000235948000023
Autor
Nascimento, EM
Machado, LE
Ribeiro, EMS
Brescansin, LM
Lee, MT
Institución
Resumen
We report a theoretical study on the photoionization of phosphine in the static-exchange level and frozen core approximation, using the method of continued fractions. The main subject of the present study is to investigate in which extent the Hartree-Fock description of the target applied to molecular photoionization is valid. Also, the role played by multichannel coupling is analysed. Our study shows that single-channel Hartree-Fock calculations can provide reliable results except for photon energies near the photoionization threshold. 17 1 162 167