Zobrazeno 1 - 10
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pro vyhledávání: '"Spałek, Józef"'
Autor:
Hendzel, Maciej, Spałek, Józef
We present a detailed investigation of the electronic structure and bonding characteristics of hydrogen-based molecular systems (\ch{H2+}, \ch{H2}, \ch{H2-}) using the Exact Diagonalization Ab Initio (EDABI) approach within the framework of combined
Externí odkaz:
http://arxiv.org/abs/2406.07729
Autor:
Spałek, Józef, Hendzel, Maciej
We analyze the properties of the exact solution obtained by us recently for the extended Hetiler-London model for chemical bonding which has an analytic form. The emphasis is put on defining two-particle entanglement correlation as the complementary
Externí odkaz:
http://arxiv.org/abs/2406.06171
Publikováno v:
Phys. Rev. B 108, 224509 (2023)
We carry out a theoretical study of unconventional superconductivity in twisted bilayer cuprates (TBC) as a function of electron density and layer twist angle. The bilayer $t$-$J$-$U$ model is employed and analyzed within the framework of a generaliz
Externí odkaz:
http://arxiv.org/abs/2310.04379
We examine the properties of topological strongly correlated superconductor with bond disorder on triangular lattice and demonstrate that our theoretical ($t$-$J$-$U$) model exhibits some unique features of the Cu-doped apatite $\mathrm{Pb_{10-\mathi
Externí odkaz:
http://arxiv.org/abs/2308.03948
It follows from our analysis of CeRhSb that the formation of Kondo insulator state due to the presence of the collective spin singlet state is strongly reduced by its doping with various dopants when their amount exceeds 8--10\%, regardless of whethe
Externí odkaz:
http://arxiv.org/abs/2302.05194
In this Chapter we reexamine the concept of $\textit{covalency}$ and $\textit{ionicity}$ on example of the simplest molecules. First, starting from the exact expression for the two-particle wave function in the case of $H_2$ molecule within the Heitl
Externí odkaz:
http://arxiv.org/abs/2302.01136
Autor:
Spałek, Józef
Publikováno v:
in: Topology, Entanglement, and Strong Correlations, Proc. Autumn School organized by the Institute for Advanced Simulation at Forschungszentrum J\"ulich, Vol. 10, pp. 7.1-7.38, 2020
The electronic states of selected nanosystems are discussed within the Exact Diagonalization Ab Initio (EDABI) method. In particular, incipient Mott--Hubbard localization effects and associated with it properties analyzed in detail.
Externí odkaz:
http://arxiv.org/abs/2211.01028
Autor:
Spałek, Józef
High temperature superconductivity encompasses the cuprates, nickelates, iron pnictides, and LaH$_x$ compounds. The first three groups of compounds involve in the pairing electrons, which are strongly to moderately correlated, whereas in the last cla
Externí odkaz:
http://arxiv.org/abs/2211.01024
Autor:
Hendzel, Maciej, Spałek, Józef
We analyze two-particle binding factors for the case of \ch{H2} molecule with the help of our original Exact Diagonalization \textit{Ab Intio} (EDABI) approach. Explicitly, we redefine the many-particle covalency and ionicity factors as a function of
Externí odkaz:
http://arxiv.org/abs/2210.06524
Publikováno v:
J. Phys. Chem. Lett 13, 10261-10266, 2022
A precise discussion of a single bond requires consideration of two-particle wave function for the particles involved. Here we define and determine rigorously the intrinsic covalency and connected characteristics on the canonical example of \ch{H2} m
Externí odkaz:
http://arxiv.org/abs/2209.00336