Application of the R-matrix method to Photoionization of Molecules

Details Application of the R-matrix method to Photoionization of Molecules Application of the R-matrix method to Photoionization of Molecules

2010-03-11

arxiv.org/abs/1003.2261v1

J. Chem. Phys. 132, 134306 (2010)

Physics

Chemical Physics

31 pages, 8 figures. J.Chem.Phys. in press.

Scientific paper

10.1063/1.3376200

The R-matrix method has been used for theoretical calculation of electron collision with atoms and molecules for long years. The method was also formulated to treat photoionization process, however, its application has been mostly limited to photoionization of atoms. In this work, we implement the R-matrix method to treat molecular photoionization problem based on the UK R-matrix codes. This method can be used for diatomic as well as polyatomic molecules, with multi-configurational description for electronic states of both target neutral molecule and product molecular ion. Test calculations were performed for valence electron photoionization of nitrogen (N2) as well as nitric oxide (NO) molecules. Calculated photoionization cross sections and asymmetry parameters agree reasonably well with the available experimental results, suggesting usefulness of the method for molecular photoionization.

Affiliated with

Also associated with

No associations

Rating

Application of the R-matrix method to Photoionization of Molecules does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Application of the R-matrix method to Photoionization of Molecules, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Application of the R-matrix method to Photoionization of Molecules will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-539925