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of 278
pro vyhledávání: '"Stopkowicz A"'
The computation of magnetizability tensors using gauge-including atomic orbitals is discussed in the context of Cholesky decomposition for the two-electron repulsion integrals with a focus on the involved doubly differentiated integrals. Three scheme
Externí odkaz:
http://arxiv.org/abs/2411.08226
For the interpretation of spectra of magnetic stellar objects such as magnetic white dwarfs (WDs) highly accurate quantum chemical predictions for atoms and molecules in finite magnetic field are required. Especially the accurate description of elect
Externí odkaz:
http://arxiv.org/abs/2409.20267
Autor:
Monzel, Laurenz, Stopkowicz, Stella
We present a diagrammatic notation to derive the quantum-electrodynamic coupled cluster (QED-CC) equations needed for the description for polaritonic ground and excited states. Our presented notation is a generalization of the existing diagrammatic n
Externí odkaz:
http://arxiv.org/abs/2407.00757
In this paper, we report on the implementation of CC2 and CC3 in the context of molecules in finite magnetic fields. The methods are applied to the investigation of atoms and molecules through spectroscopic predictions and geometry optimizations for
Externí odkaz:
http://arxiv.org/abs/2311.15455
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-8 (2024)
Abstract The article presents an evaluation of the detonation performance of a nitromethane-ammonium nitrate fuel oil energetic material. The brisance and relative strength of this material were assessed using the Hess and Trauzl methods. Both method
Externí odkaz:
https://doaj.org/article/b36650d63a4a4d89a03078cbc6a9245d
Autor:
Cała Marek, Stopkowicz Agnieszka, Kowalski Michał, Blajer Mateusz, Cyran Katarzyna, D’obyrn Kajetan
Publikováno v:
Studia Geotechnica et Mechanica, Vol 38, Iss 1, Pp 25-32 (2016)
Stability of mining openings requires consideration of a number of factors, such as: geological structure, the geometry of the underground mining workings, mechanical properties of the rock mass, changes in stress caused by the influence of neighbour
Externí odkaz:
https://doaj.org/article/528ac7878f3d4af1a73d7699ddbb375f
A Cholesky decomposition (CD)-based implementation of relativistic two-component coupled-cluster (CC) and equation-of-motion CC (EOM-CC) methods using an exact two-component Hamiltonian augmented with atomic-mean-field spin-orbit integrals (the X2CAM
Externí odkaz:
http://arxiv.org/abs/2309.08934
Autor:
Ofstad, Benedicte Sverdrup, Wibowo-Teale, Meilani, Kristiansen, Håkon Emil, Aurbakken, Einar, Kitsaras, Marios Petros, Schøyen, Øyvind Sigmundson, Hauge, Eirill, Kvaal, Simen, Stopkowicz, Stella, Wibowo-Teale, Andrew M., Pedersen, Thomas Bondo
We present a numerical approach to magnetic optical rotation based on real-time time-dependent electronic-structure theory. Not relying on perturbation expansions in the magnetic-field strength, the formulation allows us to test the range of validity
Externí odkaz:
http://arxiv.org/abs/2308.06003
Publikováno v:
Studia Geotechnica et Mechanica, Vol 37, Iss 1, Pp 25-35 (2015)
Landslides are major natural hazards occurring in opencast mining. The problem of slope stability failure in the existing open pit mines as well as in those which are at a stage of technical closure is current issue in Poland and all over the world.
Externí odkaz:
https://doaj.org/article/072204251657441d902781905a396176
Autor:
Hollands, Mark A., Stopkowicz, Stella, Kitsaras, Marios-Petros, Hampe, Florian, Blaschke, Simon, Hermes, J. J.
Magnetic white dwarfs with field strengths below 10 MG are easy to recognise since the Zeeman splitting of spectral lines appears proportional to the magnetic field strength. For fields $\geq 100$ MG, however, transition wavelengths become chaotic, r
Externí odkaz:
http://arxiv.org/abs/2301.04665