Time-resolved diffraction: general discussion

Autor: Varun Makhija, Michael N. R. Ashfold, Evgenii Titov, Mats Simmermacher, Raphael J. F. Berger, Elke Fasshauer, Mikhail A. Ivanov, Gilbert Grell, Peter M. Weber, Gopal Dixit, Kasra Amini, Ingo Fischer, Dipanshu Bansal, Felix Allum, Haiwang Yong, Kenneth Lopata, Oleg Kornilov, Daniel B. Durham, Daniel M. Neumark, Adi Natan, Andrés Moreno Carrascosa, Taro Sekikawa, Adam Kirrander, Daniel Rolles, S. Pratt, A. S. Maxwell, Anja Röder, Linda Young, Lingyu Ma, Albert Stolow, Martin Centurion, Christian Kuttner, J. P. F. Nunes, Jean Christophe Tremblay, Jan M. Rost

Publikováno v: Faraday Discussions
Faraday Discussions, Royal Society of Chemistry, 2021, 228, pp.161-190. ⟨10.1039/D1FD90023D⟩

International audience

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3ef27a1e496c9181648d6834bc1333e5
https://hal.archives-ouvertes.fr/hal-03331098

Ultrafast X-ray science: general discussion

Autor: Misha Ivanov, Thomas Pfeifer, Adam Kirrander, Francesca Calegari, Gilbert Grell, Thomas Wolf, Spiridoula Matsika, Daniel M. Neumark, Albert Stolow, Martin Centurion, Anja Röder, Andrea Oyarzun, Adi Natan, Andrés Moreno Carrascosa, Jochen Küpper, Christian Kuttner, Asami Odate, Gopal Dixit, Stefano M. Cavaletto, Evgenii Titov, A. S. Maxwell, Arnaud Rouzée, Alicia Palacios, Jan M. Rost, Peter M. Weber, Oleg Kornilov, J. P. Marangos, Ingo Fischer, Russell S. Minns, Felix Allum, Ruaridh Forbes, Elke Fasshauer

Publikováno v: Faraday discussions. 228

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1c0f694d36b2d6fc46d76be5579b7466
https://pubmed.ncbi.nlm.nih.gov/33978014

The DIRAC code for relativistic molecular calculations

Autor: Joost N. P. van Stralen, Jon K. Laerdahl, Jógvan Magnus Haugaard Olsen, Hans Jørgen Aagaard Jensen, André Severo Pereira Gomes, Bruno Senjean, Ephraim Eliav, Marta L. Vidal, Stefan Knecht, Małgorzata Olejniczak, Erik D. Hedegård, Kenneth G. Dyall, Malaya K. Nayak, Radovan Bast, Miroslav Iliaš, Roberto Di Remigio, A. Sunaga, Ignacio Agustín Aucar, Elke Faßhauer, Benjamin Helmich-Paris, Trond Saue, Avijit Shee, Timo Fleig, Lucas Visscher, Markus Pernpointner, Christoph R. Jacob, Loïc Halbert

Publikováno v: Saue, T, Bast, R, Gomes, A S P, Jensen, H J A, Visscher, L, Aucar, I A, Di Remigio, R, Dyall, K G, Eliav, E, Fasshauer, E, Fleig, T, Halbert, L, Hedegård, E D, Helmich-Paris, B, Iliaš, M, Jacob, C R, Knecht, S, Laerdahl, J K, Vidal, M L, Nayak, M K, Olejniczak, M, Olsen, J M H, Pernpointner, M, Senjean, B, Shee, A, Sunaga, A & van Stralen, J N P 2020, ' The DIRAC code for relativistic molecular calculations ', The Journal of chemical physics, vol. 152, no. 20, 204104, pp. 1-17 . https://doi.org/10.1063/5.0004844
Saue, T, Bast, R, Gomes, A S P, Jensen, H J A, Visscher, L, Aucar, I A, Di Remigio, R, Dyall, K G, Eliav, E, Fasshauer, E, Fleig, T, Halbert, L, Hedegård, E D, Helmich-Paris, B, Iliaš, M, Jacob, C R, Knecht, S, Laerdahl, J K, Vidal, M L, Nayak, M K, Olejniczak, M, Olsen, J M H, Pernpointner, M, Senjean, B, Shee, A, Sunaga, A & van Stralen, J N P 2020, ' The DIRAC code for relativistic molecular calculations ', The Journal of Chemical Physics, vol. 152, no. 20, 204104 . https://doi.org/10.1063/5.0004844
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Consejo Nacional de Investigaciones Científicas y Técnicas
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Journal of Chemical Physics
Journal of Chemical Physics, American Institute of Physics, 2020, 152, pp.204104. ⟨10.1063/5.0004844⟩
Journal of Chemical Physics, 2020, 152, pp.204104. ⟨10.1063/5.0004844⟩
The Journal of chemical physics, 152(20):204104, 1-17. American Institute of Physics Publising LLC
Saue, T, Bast, R, Gomes, A S P, Jensen, H J A, Visscher, L, Aucar, I A, Di Remigio, R, Dyall, K G, Eliav, E, Fasshauer, E, Fleig, T, Halbert, L, Hedegård, E D, Helmich-Paris, B, Iliaš, M, Jacob, C R, Knecht, S, Laerdahl, J K, Vidal, M L, Nayak, M K, Olejniczak, M, Olsen, J M H, Pernpointner, M, Senjean, B, Shee, A, Sunaga, A & van Stralen, J N P 2020, ' The DIRAC code for relativistic molecular calculations ', Journal of Chemical Physics, vol. 152, no. 20, 204104 . https://doi.org/10.1063/5.0004844
The Journal of Chemical Physics

DIRAC is a freely distributed general-purpose program system for 1-, 2- and 4-component relativistic molecular calculations at the level of Hartree--Fock, Kohn--Sham (including range-separated theory), multiconfigurational self-consistent-field, mult

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6a9019b4f3e44502cb9511fa2c38d0cf
https://orca.cardiff.ac.uk/id/eprint/141360/1/DIRAC_Code.pdf

Effect of Spin-Orbit Coupling on Decay Widths of Electronic Decay Processes

Autor: Elke Fasshauer

Publikováno v: Fasshauer, E 2020, ' Effect of spin-orbit coupling on decay widths of electronic decay processes ', The Journal of Chemical Physics, vol. 152, no. 22, 224307 . https://doi.org/10.1063/5.0002243

Auger-Meitner processes are electronic decay processes of energetically low-lying vacancies. In these processes, the vacancy is filled by an electron of an energetically higher lying orbital, while another electron is simultaneously emitted to the co

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cc18fbed4f73f05afd7e06de61be3ad0

Time-resolved Spectroscopy of Interparticle Coulombic Decay Processes

Autor: Elke Fasshauer, Lars Bojer Madsen

Publikováno v: Fasshauer, E & Madsen, L B 2020, ' Time-resolved spectroscopy of interparticle Coulombic decay processes ', Physical Review A, vol. 101, no. 4, 043414 . https://doi.org/10.1103/PhysRevA.101.043414

We report the theory for time-resolved spectator resonant interparticle Coulombic decay (ICD) processes. Following excitation by a short extreme ultraviolet pulse, the spectrum of the resonant ICD electron develops. Strong-field ionization is imagine

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::024a69c053f46bb2a1631fc06c8a1435
http://arxiv.org/abs/1904.05861