Zobrazeno 1 - 10
of 35
pro vyhledávání: '"Markus Penz"'
Publikováno v:
ACS Physical Chemistry Au, Vol 3, Iss 6, Pp 492-511 (2023)
Externí odkaz:
https://doaj.org/article/0b9d300898174dd7a5cba828e8ea114d
Autor:
Markus Penz, Robert van Leeuwen
Publikováno v:
Quantum, Vol 7, p 918 (2023)
In a previous work [J. Chem. Phys. 155, 244111 (2021)], we found counterexamples to the fundamental Hohenberg-Kohn theorem from density-functional theory in finite-lattice systems represented by graphs. Here, we demonstrate that this only occurs at v
Externí odkaz:
https://doaj.org/article/290a718cdd6c4b69869140ddac6962e9
Publikováno v:
Electronic Structure
For a quantum-mechanical many-electron system, given a density, the Zhao–Morrison–Parr method allows to compute the effective potential that yields precisely that density. In this work, we demonstrate how this and similar inversion procedures mat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c605b05fe460112866357d745d3148ec
http://arxiv.org/abs/2212.12727
http://arxiv.org/abs/2212.12727
Publikováno v:
Physical Review B
In a previous work [Rokaj et al., Phys. Rev. Lett. 123, 047202 (2019)] a translationally invariant framework called quantum-electrodynamical Bloch (QED-Bloch) theory was introduced for the description of periodic materials in homogeneous magnetic fie
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::80ca5c0a8d30fd730c83f4a76e13d9f7
https://hdl.handle.net/21.11116/0000-000A-7E94-221.11116/0000-0009-49EE-A
https://hdl.handle.net/21.11116/0000-000A-7E94-221.11116/0000-0009-49EE-A
Autor:
Florian Markus Penz, Johannes Schenk, Rainer Ammer, Gerald Klösch, Krzysztof Pastucha, Michael Reischl
Publikováno v:
Materials, Vol 12, Iss 8, p 1358 (2019)
The oxygen steelmaking process in a Linz-Donawitz (LD) converter is responsible for more than 70% of annual crude steel production. Optimization of the process control and numerical simulation of the LD converter are some of the current challenges in
Externí odkaz:
https://doaj.org/article/b7fb376e119242a79c93010d9e4384f5
Publikováno v:
Metals, Vol 8, Iss 12, p 1078 (2018)
One of the main charging materials of the Linz⁻Donawitz oxygen steelmaking process (LD) is scrap. Scrap acts as a coolant for the exothermic reactions inside the LD vessel and as an iron source in addition to hot metal. The optimization of the LD p
Externí odkaz:
https://doaj.org/article/8997ea005da64983ba5d05a4651d1ee9
Publikováno v:
ACS Physical Chemistry Au
The Hohenberg–Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual basis for a full characterization of an electronic system in its ground state by just the one-body particle density. Part I of this review aims at cl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4d604a1e4e125073f4ff8ab50304eba4
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America
Proceedings of the National Academy of Sciences
Proceedings of the National Academy of Sciences
Significance Strong interaction between light and matter recently attracted enormous interest after seminal work highlighted how materials and chemical reactions can be effectively controlled with cavities, suggesting new quantum technological applic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ccb3fb1d183c89537093712dc88a1d16
https://hdl.handle.net/21.11116/0000-0009-5628-A21.11116/0000-0009-562A-821.11116/0000-0009-562B-7
https://hdl.handle.net/21.11116/0000-0009-5628-A21.11116/0000-0009-562A-821.11116/0000-0009-562B-7
Autor:
Roberto Parreiras Tavares, Johannes Schenk, Christian Weiss, Gerald Klösch, Krzysztof Pastucha, Rainer Ammer, Florian Markus Penz
Publikováno v:
International Journal of Heat and Mass Transfer. 138:640-646
Dynamic modelling of the Linz-Donawitz oxygen steelmaking process (LD) is one of the most challenging tasks in the current economic situation for the optimization of integrated steel plants. One of the main influencing parameters is the melting and d
Publikováno v:
Journal of physics. Condensed matter : an Institute of Physics journal. 33(29)
Density-functional theory (DFT) requires an extra variable besides the electron density in order to properly incorporate magnetic-field effects. In a time-dependent setting, the gauge-invariant, total current density takes that role. A peculiar featu