Zobrazeno 1 - 10
of 679
pro vyhledávání: '"Bogusławski, P."'
Present-day state-of-the-art ab initio many-body calculations on f-block containing cold molecules heavily focus on perturbative approaches for spin-orbit coupling and exclude a substantial part of the atomic transitions in the $f$- and $d$-shell. He
Externí odkaz:
http://arxiv.org/abs/2407.17224
We introduce the electron attachment equation-of-motion pair coupled cluster doubles (EA-EOM-pCCD) ansatz, which allows us to inexpensively compute electron affinities, energies of unoccupied orbitals, and electron attachment spectra. We assess the a
Externí odkaz:
http://arxiv.org/abs/2406.14716
In this work, we use modern electronic structure methods to model the catalytic mechanism of different variants of the molybdenum cofactor (Moco). We investigate the dependence of various Moco model systems on structural relaxation and the importance
Externí odkaz:
http://arxiv.org/abs/2406.14037
Autor:
Ciechan, Anna, Dluzewski, Piotr, Kret, Slawomir, Gas, Katarzyna, Scheffler, Lukas, Gould, Charles, Kleinlein, Johannes, Sawicki, Maciej, Molenkamp, Laurens, Boguslawski, Piotr
Publikováno v:
Phys. Rev. B 110, 014436 (2024)
High-resolution transmission electron microscopy and superconducting quantum interference device magnetometry shows that epitaxial CuMnSb films exhibit a coexistence of two magnetic phases, coherently intertwined in nanometric scales. The dominant $\
Externí odkaz:
http://arxiv.org/abs/2405.18914
Autor:
Chakraborty, Rahul, de Moraes, Matheus Morato F., Boguslawski, Katharina, Nowak, Artur, Swierczynski, Julian, Tecmer, Pawel
The dipole moment is a crucial molecular property linked to a molecular system's bond polarity and overall electronic structure. To that end, the electronic dipole moment, which results from the electron density of a system, is often used to assess t
Externí odkaz:
http://arxiv.org/abs/2404.06385
Multiphoton microscopes employ femtosecond lasers as light sources because the high peak power of the ultrashort pulse allows for multiphoton excitation of fluorescence in the examined sample. However, such short pulses are susceptible to broadening
Externí odkaz:
http://arxiv.org/abs/2402.12911
The ionization potential (IP) is an important parameter providing essential insights into the reactivity of chemical systems. IPs are also crucial for designing, optimizing, and understanding the functionality of modern technological devices. We rece
Externí odkaz:
http://arxiv.org/abs/2402.06496
Publikováno v:
Opt. Express 31, 27667-27676 (2023)
We characterized and analyzed the effect of intracavity spectral filtering in the Er:fiber laser mode-locked with a semiconductor saturable absorber mirror (SESAM). We studied the dispersive properties of bandpass filters and their influence on the c
Externí odkaz:
http://arxiv.org/abs/2401.16555
Autor:
Vizvary, Samuel R., Wall, Zachary J., Boguslawski, Matthew J., Bareian, Michael, Derevianko, Andrei, Campbell, Wesley C., Hudson, Eric R.
The $\textit{omg}$ protocol is a promising paradigm that uses multiple, application-specific qubit subspaces within the Hilbert space of each single atom during quantum information processing. A key assumption for $\textit{omg}$ operation is that a s
Externí odkaz:
http://arxiv.org/abs/2310.10905
Autor:
Kriebel, Maximilian H., Tecmer, Paweł, Gałyńska, Marta, Leszczyk, Aleksandra, Boguslawski, Katharina
We scrutinize how to accelerate the bottleneck operations of Pythonic coupled cluster implementations performed on a \texttt{NVIDIA} Tesla V100S PCIe 32GB (rev 1a) Graphics Processing Unit (GPU). The \texttt{NVIDIA} Compute Unified Device Architectur
Externí odkaz:
http://arxiv.org/abs/2310.04559