Zobrazeno 1 - 10
of 1 243
pro vyhledávání: '"Lopata, P"'
Autor:
Armond, Stephanie N., Hamer, Kyle A., Bhardwaj, Ravi, Mauger, Francois, Lopata, Kenneth, Schafer, Kenneth J., Gaarde, Mette B.
We compare the high-harmonic-generation (HHG) yield driven by a mid-infrared laser in three organic ring-shaped molecules, calculated using time-dependent density-functional theory (TDDFT). We average the yield over the relative orientation of the mo
Externí odkaz:
http://arxiv.org/abs/2409.11487
Autor:
Wahyutama, Imam S., Jayasinghe, Denawakage D., Mauger, Francois, Lopata, Kenneth, Schafer, Kenneth J.
Tunnel ionization (TI) underlies many important ultrafast processes, such as high-harmonic generation and strong-field ionization. Among the existing theories for TI, many-electron weak-field asymptotic theory (ME-WFAT) is by design capable of accura
Externí odkaz:
http://arxiv.org/abs/2408.09372
We show that applying a few-femtosecond mid-infrared laser pulse parallel to the backbone of a halogenated, conjugated organic molecule induces localized ionization followed by long-lasting field-free charge migration (CM). Through time-dependent den
Externí odkaz:
http://arxiv.org/abs/2408.04766
Autor:
Hamer, Kyle A., Folorunso, Aderonke S., Lopata, Kenneth, Schafer, Kenneth J., Gaarde, Mette B., Mauger, Francois
We present frequency-matched strobo-spectroscopy (FMSS) of charge migration (CM) in bromobutadiyne, simulated with time-dependent density-functional theory. CM+FMSS is a pump-probe scheme that uses a frequency-matched HHG-driving laser as an independ
Externí odkaz:
http://arxiv.org/abs/2306.14992
Autor:
Judith Fonken, Milan Gillissen, Eline van Engelen, Marc van Sambeek, Frans van de Vosse, Richard Lopata
Publikováno v:
BioMedical Engineering OnLine, Vol 23, Iss 1, Pp 1-17 (2024)
Abstract Background Personalized modeling is a promising tool to improve abdominal aortic aneurysm (AAA) rupture risk assessment. Computed tomography (CT) and quantitative flow (Q-flow) magnetic resonance imaging (MRI) are widely regarded as the gold
Externí odkaz:
https://doaj.org/article/3f92d9c5eac54d618afcc4dc76c91069
Publikováno v:
Проблеми трибології, Vol 29, Iss 2/112, Pp 79-86 (2024)
The article discusses primary (technological factors) relating to the technology and conditions of spraying and secondary ones, which are derived from technological factors affecting the structure formation and properties of coatings. The paper exami
Externí odkaz:
https://doaj.org/article/1955c7699b5c4465826575eee7088d06
Publikováno v:
Communications in Nonlinear Science and Numerical Simulation 129, 107685 (2024)
We revisit Kohn-Sham time-dependent density-functional theory (TDDFT) equations and show that they derive from a canonical Hamiltonian formalism. We use this geometric description of the TDDFT dynamics to define families of symplectic split-operator
Externí odkaz:
http://arxiv.org/abs/2302.00862
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-13 (2024)
Abstract The global distribution of tropical fire ants (Solenopsis geminata) raises concerns about anaphylaxis and serious medical issues in numerous countries. This investigation focused on the cross-reactivity of allergen-specific IgE antibodies be
Externí odkaz:
https://doaj.org/article/b39f1237c0f1495db62e1bbbc267f1ec
Publikováno v:
Photoacoustics, Vol 41, Iss , Pp 100676- (2025)
Photoacoustic imaging (PAI) is a developing image modality that benefits from light–matter interaction and low acoustic attenuation to provide functional information on tissue composition at relatively large depths. Several studies have reported th
Externí odkaz:
https://doaj.org/article/36e6984417b14416a5b54ef5ebafb91b
Autor:
Wahyutama, Imam S., Jayasinghe, Denawakage D., Mauger, François, Lopata, Kenneth, Gaarde, Mette B., Schafer, Kenneth J.
We develop and test a method that integrates many-electron weak-field asymptotic theory (ME-WFAT) [Phys. Rev. A 89, 013421 (2014)] in the integral representation (IR) into the density functional theory (DFT) framework. In particular, we present modif
Externí odkaz:
http://arxiv.org/abs/2208.06699