Ab-initio angle and energy resolved photoelectron spectroscopy with time-dependent density-functional theory
Physical Review A 85, 062515 (2012)
Ab-initio angle and energy resolved photoelectron spectroscopy with time-dependent density-functional theory
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.
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- http://dx.doi.org/10.1103/PhysRevA.85.062515
- arxiv
- http://arxiv.org/abs/1206.6031