Photoelectron spectra from first principles: from the many-body to the single-particle picture

Details Photoelectron spectra from first principles: from the many-body to the single-particle picture Photoelectron spectra from first principles: from the many-body to the single-particle picture

Apr 2008

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2008njph...10d3018w&link_type=abstract

New Journal of Physics, Volume 10, Issue 4, pp. 043018 (2008).

Physics

5

Scientific paper

We derive a many-body method to evaluate photoelectron spectra of atoms, molecules and clusters from first principles. The excitation energies and the spectroscopic factors are calculated from the linear-response time-dependent density functional theory. The method is applied to noble metal anions, anionic clusters and to neutral small molecules. Our approach shows significant improvement over a simple single-particle treatment and gives an insight into the necessary conditions under which the single-particle picture holds. The consideration of the spectroscopic factor is shown to be crucial for the correct description of inner valence photoelectron peaks.

Affiliated with

Also associated with

No associations

Rating

Photoelectron spectra from first principles: from the many-body to the single-particle picture 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 Photoelectron spectra from first principles: from the many-body to the single-particle picture, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Photoelectron spectra from first principles: from the many-body to the single-particle picture will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-1720190