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pro vyhledávání: '"A A, Bokarev"'
Recent experimental advances in ultrafast science put different processes occurring on the electronic timescale below a few femtoseconds in focus. In the present theoretical work, we demonstrate how the transformation and propagation of the density m
Externí odkaz:
http://arxiv.org/abs/2306.06737
Autor:
Eetu Pelimanni, Adam E. A. Fouda, Phay J. Ho, Thomas M. Baumann, Sergey I. Bokarev, Alberto De Fanis, Simon Dold, Gilbert Grell, Iyas Ismail, Dimitrios Koulentianos, Tommaso Mazza, Michael Meyer, Maria-Novella Piancastelli, Ralph Püttner, Daniel E. Rivas, Björn Senfftleben, Marc Simon, Linda Young, Gilles Doumy
Publikováno v:
Communications Physics, Vol 7, Iss 1, Pp 1-9 (2024)
Abstract The ultrashort and intense pulses of X-rays produced at X-ray free electron lasers (XFELs) have enabled unique experiments on the atomic level structure and dynamics of matter, with time-resolved studies permitted in the femto- and attosecon
Externí odkaz:
https://doaj.org/article/d4b7e2bd35634649a8379cbcd32c33fa
This article presents the program module \texttt{RhoDyn} as part of the \texttt{OpenMolcas} project intended to study ultrafast electron dynamics within the density-matrix-based time-dependent restricted active space configuration interaction framewo
Externí odkaz:
http://arxiv.org/abs/2111.01114
Publikováno v:
Модернизация, инновация, развитие, Vol 14, Iss 3, Pp 500-516 (2023)
Purpose: this article is to conceptualize the reasons of European green energy transition sustainability on the basis of its historic dynamics of its political and economic drivers and its possible developments taking into account adjustments of this
Externí odkaz:
https://doaj.org/article/ee5d81680036419eb1debafe88203ed2
Recent developments of the sources of intense and ultrashort X-ray pulses stimulate theoretical studies of phenomena occurring on ultrafast timescales. In the present study, spin-flip dynamics in transition metal complexes triggered by sub-femtosecon
Externí odkaz:
http://arxiv.org/abs/2002.11032
Autor:
Rassolov, Alexander V., Markov, Pavel V., Baeva, Galina N., Bokarev, Dmitriy A., Kolyadenkov, Artem R., Vaulina, Anastasia E., Stakheev, Alexander Yu.
Publikováno v:
In Mendeleev Communications September-October 2023 33(5):673-675
Autor:
Grell, Gilbert, Bokarev, Sergey I.
We present the application of the spherically averaged continuum model to the evaluation of molecular photoelectron and resonant Auger electron spectra. In this model, the continuum wave function is obtained in a numerically efficient way by solving
Externí odkaz:
http://arxiv.org/abs/1912.04139
Autor:
Britz, Alexander, Bokarev, Sergey I., Assefa, Tadesse A., Bajnóczi, Éva G., Németh, Zoltán, Vankó, György, Rockstroh, Nils, Junge, Henrik, Beller, Matthias, Doumy, Gilles, March, Anne Marie, Southworth, Stephen H., Lochbrunner, Stefan, Kühn, Oliver, Bressler, Christian, Gawelda, Wojciech
Time-resolved X-ray absorption spectroscopy has been utilized to monitor the bimolecular electron transfer in a photocatalytic water splitting system for the first time. This has been possible by uniting the local probe and element specific character
Externí odkaz:
http://arxiv.org/abs/1911.01254
Publikováno v:
Phys. Rev. A 100, 042512 (2019)
In this contribution we present a protocol to evaluate partial and total Auger decay rates combining the restricted active space self-consistent field electronic structure method for the bound part of the spectrum and numerically obtained continuum o
Externí odkaz:
http://arxiv.org/abs/1905.05785
Publikováno v:
Phys. Rev. A 98, 013408 (2018)
Frontiers of attosecond science are constantly shifting, thus addressing more and more intricate effects with increasing resolution. Ultrashort pulses offer a practical way to prepare complex superpositions of quantum states, follow, and steer their
Externí odkaz:
http://arxiv.org/abs/1806.06262