Zobrazeno 1 - 10
of 32
pro vyhledávání: '"Michał Przybytek"'
Autor:
Tomasz Grining, Michał Tomza, Michał Lesiuk, Michał Przybytek, Monika Musiał, Pietro Massignan, Maciej Lewenstein, Robert Moszynski
Publikováno v:
New Journal of Physics, Vol 17, Iss 11, p 115001 (2015)
We employ ab initio methods of quantum chemistry to investigate spin-1/2 fermions interacting via a two-body contact potential in a one-dimensional harmonic trap. The convergence of the total energy with the size of the one-particle basis set is anal
Externí odkaz:
https://doaj.org/article/e344f1df50084ae0a861a7e8efebf316
We present a method for calculation of the second-order exchange-dispersion energy in the framework of the symmetry-adapted perturbation theory (SAPT) for weakly interacting monomers described with multiconfigurational wave functions. The proposed fo
Externí odkaz:
http://arxiv.org/abs/1910.04611
In this paper, we investigate the effects of full electronic correlation on the high harmonic generation in the helium atom subjected to laser pulses of extremely high intensity. To do this, we perform real-time propagations of the helium atom wavefu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3f3a0f21ebfed5b203b6a8f7bf8f550f
Publikováno v:
Journal of Chemical Theory and Computation
We present a formulation of the multiconfigurational (MC) wave function symmetry-adapted perturbation theory (SAPT). The method is applicable to noncovalent interactions between monomers which require a multiconfigurational description, in particular
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::05dac79f909ceab719ccbef3aaed008d
https://pubmed.ncbi.nlm.nih.gov/34517707
https://pubmed.ncbi.nlm.nih.gov/34517707
Publikováno v:
Journal of Chemical Theory and Computation. 15:6712-6723
We present a method for calculation of the second-order exchange-dispersion energy in the framework of the symmetry-adapted perturbation theory (SAPT) for weakly interacting monomers described with multiconfigurational wave functions. The proposed fo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::26ca84896845c418af20ce2171394cb8
https://doi.org/10.1021/acs.jctc.9b00925
https://doi.org/10.1021/acs.jctc.9b00925
Publikováno v:
Journal of Chemical Theory and Computation. 15:2470-2480
This work concerns \emph{ab initio} calculations of the complete potential energy curve and spectroscopic constants for the ground state $X^1\Sigma_g^+$ of the beryllium dimer, Be$_2$. High accuracy and reliability of the results is one of the primar
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::221365ddfb488fbd12f378f078e59028
https://doi.org/10.1021/acs.jctc.8b00845
https://doi.org/10.1021/acs.jctc.8b00845
Publikováno v:
Journal of Chemical Theory and Computation. 15:1016-1027
We propose a method for calculating a second-order dispersion energy for weakly interacting multireference systems in arbitrary electronic states. It is based on response properties obtained from extended random phase approximation equations. The int
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c74ed7b41c0bc1f62882174d0f8fa699
https://doi.org/10.1021/acs.jctc.8b01058
https://doi.org/10.1021/acs.jctc.8b01058
Autor:
Jakub S. Prauzner-Bechcicki, Aleksander P. Woźniak, Robert Moszynski, Emilio Pisanty, Michał Przybytek, Maciej Lewenstein, Dmitry K. Efimov, Marcelo F. Ciappina, Jakub Zakrzewski, Michał Mandrysz, Michał Lesiuk
Publikováno v:
The Journal of Chemical Physics
UPCommons. Portal del coneixement obert de la UPC
Universitat Politècnica de Catalunya (UPC)
UPCommons. Portal del coneixement obert de la UPC
Universitat Politècnica de Catalunya (UPC)
A precise understanding of mechanisms governing the dynamics of electrons in atoms and molecules subjected to intense laser fields has a key importance for the description of attosecond processes such as the high-harmonic generation and ionization. F
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0dd368b2d1ada3087eb415d57c76f46d
https://ruj.uj.edu.pl/xmlui/handle/item/267064
https://ruj.uj.edu.pl/xmlui/handle/item/267064
Publikováno v:
Physical Review A. 102
The second virial coefficient and the second acoustic virial coefficient for helium-4 and helium-3 are computed for a wide range of temperatures (0.5--1000 K) using a highly accurate nonrelativistic interaction potential [M. Przybytek et al., Phys. R
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7acc029f6990aaaa4981d63646e1aede
https://doi.org/10.1103/physreva.102.042810
https://doi.org/10.1103/physreva.102.042810