Zobrazeno 1 - 10
of 96
pro vyhledávání: '"Tillmann Klamroth"'
Publikováno v:
Beilstein Journal of Nanotechnology, Vol 15, Iss 1, Pp 1125-1131 (2024)
Graphene nanoribbons show exciting electronic properties related to the exotic nature of the charge carriers and to local confinement as well as atomic-scale structural details. The local work function provides evidence for such structural, electroni
Externí odkaz:
https://doaj.org/article/837ff1a772a24ec09dfb175878011dea
Autor:
Stefan Šćepanović, Amina Kimouche, Jovan Mirković, Gehad Sadiek, Tillmann Klamroth, Abdou Hassanien
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-8 (2024)
Abstract Using scanning tunneling microscopy and spectroscopy we demonstrate a revival of magnetism in 7-armchair nanoribbon by unpassivated atoms at the termini. Namely, a pair of intense Kondo resonances emerges at the peripheries of zigzag terminu
Externí odkaz:
https://doaj.org/article/db9fbfb15eec4c94823efab2cf8d4c7b
Publikováno v:
Physical Review B. 107
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5439e313d400389a55bcf54f0c4bbaea
https://doi.org/10.1103/physrevb.107.134301
https://doi.org/10.1103/physrevb.107.134301
Autor:
Guennaddi K. Paramonov, Tillmann Klamroth, Christoph Witzorky, Foudhil Bouakline, Peter Saalfrank, Ralph Jaquet
Publikováno v:
Journal of Chemical Theory and Computation. 17:7353-7365
The response of the hydrogen molecular ion, H2+, to few-cycle laser pulses of different intensities is simulated. To treat the coupled electron-nuclear motion, we use adiabatic potentials computed with Gaussian-type basis sets together with a heurist
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b245f128764f67cea082e008ae8213bb
https://doi.org/10.1021/acs.jctc.1c00837
https://doi.org/10.1021/acs.jctc.1c00837
Publikováno v:
Physical Chemistry Chemical Physics. 23:13544-13560
With recent experimental advances in laser-driven electron dynamics in polyatomic molecules, the need arises for their reliable theoretical modelling. Among efficient, yet fairly accurate methods for many-electron dynamics are Time-Dependent Configur
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::33b1085880b4f916d31490c242dbd77c
https://doi.org/10.1039/d1cp01100f
https://doi.org/10.1039/d1cp01100f
Autor:
Christoph, Witzorky, Guennaddi, Paramonov, Foudhil, Bouakline, Ralph, Jaquet, Peter, Saalfrank, Tillmann, Klamroth
Publikováno v:
Journal of chemical theory and computation. 17(12)
The response of the hydrogen molecular ion, H
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::8948d0e9ac204bbd0fc515e260e67e96
https://pubmed.ncbi.nlm.nih.gov/34747605
https://pubmed.ncbi.nlm.nih.gov/34747605
Publikováno v:
Physical chemistry chemical physics : PCCP. 23(24)
With recent experimental advances in laser-driven electron dynamics in polyatomic molecules, the need arises for their reliable theoretical modelling. Among efficient, yet fairly accurate methods for many-electron dynamics are Time-Dependent Configur
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::e119d5c9339714c1e250292de2effc43
https://pubmed.ncbi.nlm.nih.gov/34105544
https://pubmed.ncbi.nlm.nih.gov/34105544
Autor:
Tillmann Klamroth, Christopher Ehlert
Publikováno v:
Journal of computational chemistryREFERENCES. 41(19)
Near edge X-ray absorption fine structure (NEXAFS) spectra and their pump-probe extension (PP-NEXAFS) offer insights into valence- and core-excited states. We present PSIXAS, a recent implementation for simulating NEXAFS and PP-NEXAFS spectra by mean
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cc59f5d1f905a789e4b7f9cb4498fd48
https://pubmed.ncbi.nlm.nih.gov/32394459
https://pubmed.ncbi.nlm.nih.gov/32394459
Autor:
Tillmann Klamroth, Florian Bedurke, Peter Saalfrank, Mathias Nest, Chiara Heide, Jean Christophe Tremblay, Pascal Krause, Stefan Klinkusch
Publikováno v:
Advances in Quantum Chemistry
Advances in Quantum Chemistry, pp.15-50, 2020, ⟨10.1016/bs.aiq.2020.03.001⟩
Advances in Quantum Chemistry, pp.15-50, 2020, ⟨10.1016/bs.aiq.2020.03.001⟩
Modern laser technology and ultrafast spectroscopies have pushed the timescales for detecting and manipulating dynamical processes in molecules from the picosecond over femtosecond domains, to the attosecond regime (1 as = 10−18 s). This way, real-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ece269da513a421e8b368ced605d4cf5
https://doi.org/10.1016/bs.aiq.2020.03.001
https://doi.org/10.1016/bs.aiq.2020.03.001
