1206.6031 (U. De Giovannini et al.)

Ab-initio angle and energy resolved photoelectron spectroscopy with
time-dependent density-functional theory    [PDF]

U. De Giovannini, D. Varsano, M. A. L. Marques, H. Appel, E. K. U. Gross, A. Rubio

We present a time-dependent density-functional method able to describe the photoelectron spectrum of atoms and molecules when excited by laser pulses. This computationally feasible scheme is based on a geometrical partitioning that efficiently gives access to photoelectron spectroscopy in time-dependent density-functional calculations. By using a geometrical approach, we provide a simple description of momentum-resolved photoe- mission including multi-photon effects. The approach is validated by comparison with results in the literature and exact calculations. Furthermore, we present numerical photoelectron angular distributions for randomly oriented nitrogen molecules in a short near infrared intense laser pulse and helium-(I) angular spectra for aligned carbon monoxide and benzene.

View original: http://arxiv.org/abs/1206.6031