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pro vyhledávání: '"Višňák, Jakub"'
Heavy atom compounds represent a challenge for computational chemistry, due to the need for simultaneous treatment of relativistic and correlation effects. Often such systems exhibit also strong correlation which hampers the application of perturbati
Externí odkaz:
http://arxiv.org/abs/2403.18473
There are three essential problems in computational relativistic chemistry: electrons moving at relativistic speeds, close lying states and dynamical correlation. Currently available quantum-chemical methods are capable of solving systems with one or
Externí odkaz:
http://arxiv.org/abs/2001.05352
Time-Resolved Laser-Induced Fluorescence Spectroscopy (TRLFS) and cryo-TRLFS are sensitive tools for \textit{in situ} speciation of low-level uranium in aqueous samples, including natural waters. To tailor, often ill-conditioned (i.e., leading to amb
Externí odkaz:
http://arxiv.org/abs/1811.10456
Akademický článek
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Autor:
Višňák, Jakub
Title: Quantum computing algorithms for quantum chemistry Author: Jakub Višňák Abstract: The topic of this study is the simulation of the quantum algorithm for the diagonalization of the matrix representation of the all-electron Dirac-Coulomb hami
Externí odkaz:
http://www.nusl.cz/ntk/nusl-310395
We present an efficient quantum algorithm for beyond-Born-Oppenheimer molecular energy computations. Our approach combines the quantum full configuration interaction method with the nuclear orbital plus molecular orbital (NOMO) method. We give the de
Externí odkaz:
http://arxiv.org/abs/1507.03271
Autor:
Veis, Libor, Višňák, Jakub, Fleig, Timo, Knecht, Stefan, Saue, Trond, Visscher, Lucas, Pittner, Jiří
Publikováno v:
Phys. Rev. A 85, 030304(R) (2012)
Last years witnessed a remarkable interest in application of quantum computing for solving problems in quantum chemistry more efficiently than classical computers allow. Very recently, even first proof-of-principle experimental realizations have been
Externí odkaz:
http://arxiv.org/abs/1111.3490
Autor:
Višňák, Jakub1,2,3 jvisnak@gmail.com, Veselý, Petr4
Publikováno v:
EPJ Web of Conferences. 2017, Vol. 154, p1-7. 7p.
Autor:
Višňák, Jakub1,2,3 jvisnak@gmail.com, Steudtner, Robin4 (AUTHOR), Kassahun, Andrea5 (AUTHOR), Hoth, Nils6 (AUTHOR)
Publikováno v:
EPJ Web of Conferences. 2017, Vol. 154, p1-21. 21p.