Zobrazeno 1 - 10
of 17
pro vyhledávání: '"Kocák, Jakub"'
There are different ways to obtain an exact one-electron theory for a many-electron system, and the exact electron factorization (EEF) is one of them. In the EEF, the Schr\"odinger equation for one electron in the environment of other electrons is co
Externí odkaz:
http://arxiv.org/abs/2111.09620
When a molecule dissociates, the exact Kohn-Sham (KS) and Pauli potentials may form step structures. Reproducing these steps correctly is central for the description of dissociation and charge-transfer processes in density functional theory (DFT): Th
Externí odkaz:
http://arxiv.org/abs/2101.07858
The theoretical and computational description of materials properties is a task of utmost scientific and technological importance. A first-principles description of electron-electron interactions poses an immense challenge that is usually approached
Externí odkaz:
http://arxiv.org/abs/2010.14885
Autor:
Kocák, Jakub, Schild, Axel
Publikováno v:
Phys. Rev. Research 2, 043365 (2020)
If one-electron observables of a many-electron system are of interest, a many-electron dynamics can be represented exactly by a one-electron dynamics with effective potentials. The formalism for this reduction is provided by the Exact Electron Factor
Externí odkaz:
http://arxiv.org/abs/2007.10698
Autor:
Kocák, Jakub
Title: A new method for the solution of the Schrödinger equation Author: Jakub Kocák Department: Department of Physical and Macromolecular Chemistry Supervisor: doc. RNDr. Filip Uhlík, Ph.D. Abstract: In this thesis we study method for the solutio
Externí odkaz:
http://www.nusl.cz/ntk/nusl-365119
Autor:
Kocák, Jakub
This thesis focuses on the study of the Exact Electron Factorization (EEF). The EEF comes from a broader family of methods originating from the Exact Factorization (EF). The central principle of the EF is the separation of a quantum system into two p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9238f8edd9730e2731f577e810c7529f
Autor:
Kocák, Jakub, Schild, Axel
A quantum system Q is characterized by a single potential v and its eigenstates. While v is usually postulated for a given physical problem, it represents the interaction with an implicit environment E. We use the exact factorization to show how v em
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f020eb16726599b680ba583e806c7d61
Autor:
Kocák, Jakub
In this thesis we study simple one-dimensional two-channel scattering model where pointlike coupling between channels is provided by the delta potential. The scattering task can be completely solved analytically. The solution of the Lippmann-Schwinge
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______2186::9b68658a039b9c7bebcbc170c1e3a35b
http://www.nusl.cz/ntk/nusl-267715
http://www.nusl.cz/ntk/nusl-267715
Autor:
Kocák, Jakub
Title: A new method for the solution of the Schrödinger equation Author: Jakub Kocák Department: Department of Physical and Macromolecular Chemistry Supervisor: doc. RNDr. Filip Uhlík, Ph.D. Abstract: In this thesis we study method for the solutio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______2186::bc2b17bf0c872e4ac4bed0a8e0369ce3
http://www.nusl.cz/ntk/nusl-365119
http://www.nusl.cz/ntk/nusl-365119
Autor:
Kocák, Jakub
Title: Quantum Variational Monte Carlo method Author: Jakub Kocák Department: Department of Physical and Macromolecular Chemistry Supervisor: RNDr. Filip Uhlík, Ph.D. Abstract: In this thesis, we study variational Monte Carlo method in quantum- mec
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______2186::539a9cf9adc930b5633327e94d575c56
http://www.nusl.cz/ntk/nusl-334453
http://www.nusl.cz/ntk/nusl-334453