Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Mickael G. Delcey"'
To break the scaling of the number of qubits with the size of the basis set, one can divide the molecular space into active and inactive, also known as complete active space methods. Nevertheless, more than the active space selection is needed for ac
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::77af02361b8d1b3b7efeff450580aea0
https://doi.org/10.26434/chemrxiv-2023-nh571
https://doi.org/10.26434/chemrxiv-2023-nh571
Autor:
Thomas Fransson, Mickael G. Delcey, Iulia Emilia Brumboiu, Manuel Hodecker, Xin Li, Zilvinas Rinkevicius, Andreas Dreuw, Young Min Rhee, Patrick Norman
The eChem project features an e-book published as a web page https://doi.org/10.30746/978-91-988114-0-7), collecting a repository of Jupyter notebooks developed for the dual purpose of explaining and exploring the theory underlying computational chem
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::913f16e8a98a6bb12fc87da969b64af3
https://doi.org/10.26434/chemrxiv-2022-98wmf-v2
https://doi.org/10.26434/chemrxiv-2022-98wmf-v2
Autor:
Yves Kayser, Chris Milne, Pavle Juranić, Leonardo Sala, Joanna Czapla-Masztafiak, Rolf Follath, Matjaž Kavčič, Gregor Knopp, Jens Rehanek, Wojciech Błachucki, Mickaël G. Delcey, Marcus Lundberg, Krzysztof Tyrała, Diling Zhu, Roberto Alonso-Mori, Rafael Abela, Jacinto Sá, Jakub Szlachetko
Publikováno v:
Nature Communications, Vol 10, Iss 1, Pp 1-10 (2019)
Free electron X-ray laser pulses, generated by self-amplified spontaneous emission, are stochastic in nature. Here the authors present a reconstruction method for 2D spectroscopy while preserving the intrinsic properties of the incident pulses and ap
Externí odkaz:
https://doaj.org/article/ab67c916cd4246619157431774b9e52d
Publikováno v:
Structural Dynamics, Vol 7, Iss 4, Pp 044102-044102-13 (2020)
Recently, coherent structural dynamics in the excited state of an iron photosensitizer was observed through oscillations in the intensity of Kα x-ray emission spectroscopy (XES). Understanding the origin of the unexpected sensitivity of core-to-core
Externí odkaz:
https://doaj.org/article/5875b37fe1884e9ab892d39b5fee7994