Relevant References

(1) C. Marante, L. Argenti and F. Martı́n, “Hybrid Gaussian–B-spline basis for the electronic
continuum: Photoionization of atomic hydrogen”, Phys. Rev. A 90, 012506, (2014),
https://doi.org/10.1103/PhysRevA.90.012506

(2) C. Marante et al. “Hybrid-Basis Close-Coupling Interface to Quantum Chemistry Packages for
the Treatment of Ionization Problems”, J. Chem. Theory Comput., 13, 499−514, (2017),
https://doi.org/10.1021/acs.jctc.6b00907

(3) C. Marante et al. “Photoionization using the XCHEM approach: Total and partial cross sections
of Ne and resonance parameters above the 2s 2 2 p 5 threshold”, Phys. Rev. A 96, 022507, (2017),
https://doi.org/10.1103/PhysRevA.96.022507

(4) M. Klinker et al. “Partial cross sections and interfering resonances in photoionization of
molecular nitrogen”, Phys. Rev. A 98, 033413, (2018),
https://doi.org/10.1103/PhysRevA.98.033413

(5) M. Klinker et al. “Electron Correlation in the Ionization Continuum of Molecules:
Photoionization of N2 in the Vicinity of the Hopfield Series of Autoionizing States” J. Phys. Chem.
Lett. 2018, 9, 756−762.
DOI: 10.1021/acs.jpclett.7b03220

(6) L. Barreau, C. L. M. Petersson, M. Klinker, A. Camper, C. Marante, T. Gorman, D. Kiesewetter,
L. Argenti, P. Agostini, J. Gonzalez-Vazquez, L. P. Salieres, F. DiMauro, and F. Martín.
“Disentangling spectral phases of interfering autoionizing states from attosecond interferometric
measurements”, Phys. Rev. Lett., 2019, 122, 253203.
DOI: https://doi.org/10.1103/PhysRevLett.122.253203

(7) B. I. Schneider, K. Bartschat, O. Zatsarinny, I. Bray, A. Scrinzi, F. Martín, M. Klinker, J.
Tennyson, J. D. Gornkiel, and S. Pamidighantam, “A science gateway for atomic and molecular
physics”. Proceedings of PEARC’19: Practice and Experience in Advanced Research Computing:
Rise of the Machines, arXiv preprint arXiv:2001.02286
https://arxiv.org/abs/2001.02286

(8) B. I. Schneider, K. Bartschat, O. Zatsarinny, I. Bray, A. Scrinzi, F. Martín, M. Klinker, J.
Tennyson, J. D. Gornkiel, and S. Pamidighantam, “Atomic and Molecular Scattering Applications
in an Apache Airavata Science Gateway”. PEARC’20: Practice and Experience in Advanced
Research Computing: Rise of the Machines, July, 2020. Pages 270-277. DOI:
https://doi.org/10.1145/3311790.3397342.

(9) SM Poullain, M Klinker, J González-Vázquez, F Martín, “Resonant photoionization of O 2 up to
the fourth ionization threshold”. Phys. Chem. Chem. Phys., 2019,21, 16497-16504. DOI:
https://doi.org/10.1039/C9CP02150G.

(10) Vicent J. Borràs, Pedro Fernández-Milán, Luca Argenti, Jesús González-Vázquez, Fernando
Martín, “Photoionization cross sections and photoelectron angular distributions of molecules with
XCHEM-2.0”, Computer Physics Communications, Volume 296, 2024, 109033, ISSN 0010-4655,
https://doi.org/10.1016/j.cpc.2023.109033.

(11) Vicent J. Borràs and Jesús González-Vázquez and Luca Argenti and Fernando Martín,
“Attosecond photoionization delays in the vicinity of molecular Feshbach resonances”.Sci.
Adv.9,eade3855(2023).
DOI: 10.1126/sciadv.ade3855.

 

 

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