A theoretical study on the photoionization of the valence orbitals of phosphine

Journal of the Brazilian Chemical Society

Edmar M. Nascimento¹  Luiz E. Machado¹  Evandro M.s. Ribeiro¹  Luiz M. Brescansin¹  Mu-tao Lee¹ 

关键词: photoionization cross section;    photoionization asymmetry parameters;    MCF;    PH3;    phosphine;   

DOI  :  10.1590/S0103-50532006000100023

来源: SciELO

【 摘 要 】

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.

【 授权许可】

CC BY   
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