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

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

Ref.: Phys. Rev. A 85, 062515 (2012)

Abstract: 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 photoemission 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.

Citations: 75 (Google scholar)

DOI: 10.1103/PhysRevA.85.062515

URL: arxiv.org, link.aps.org

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Bibtex:

@article{De_Giovannini_2012,
	doi = {10.1103/physreva.85.062515},
	url = {https://doi.org/10.1103%2Fphysreva.85.062515},
	year = 2012,
	month = {jun},
	publisher = {American Physical Society ({APS})},
	volume = {85},
	number = {6},
	author = {U. De Giovannini and D. Varsano and M. A. L. Marques and H. Appel and E. K. U. Gross and A. Rubio},
	title = {$\less$i$\greater$Ab initio$\less$/i$\greater$angle- and energy-resolved photoelectron spectroscopy with time-dependent density-functional theory},
	journal = {Physical Review A}
}