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arxiv: 1206.6031 · v1 · pith:YT5FDNKHnew · submitted 2012-06-25 · ⚛️ physics.atom-ph · cond-mat.mes-hall· physics.atm-clus

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

classification ⚛️ physics.atom-ph cond-mat.mes-hallphysics.atm-clus
keywords photoelectrondensity-functionaltime-dependentangularapproachcalculationsgeometricallaser
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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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