Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Sylwia Siecińska"'
Publikováno v:
New Journal of Physics, Vol 22, Iss 8, p 083084 (2020)
The vertical ionization potentials for systems of various sizes, ranging from simple molecules, DNA/RNA bases, donor and acceptor organic molecular systems as well as nanotubes are calculated using the ΔMP2-SCS family of methods [Śmiga et al 2018 J
Externí odkaz:
https://doaj.org/article/88822883996d447ab0af48d21d1e2a90
We have derived a new method which allows to compute the full and the Pauli reference kinetic potentials for atoms and molecules in a real space representation. This is done by applying the optimized effective potential (OEP) method to {the} Kohn-Sha
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2ce99056d909386f379f897b99edbed5
Publikováno v:
New Journal of Physics. 22:083084
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e8c687adcbc2ea6c73cfe79fbfd6f2a6
https://doi.org/10.1088/1367-2630/abaa00
https://doi.org/10.1088/1367-2630/abaa00
Publikováno v:
Molecular Physics; Oct2022, Vol. 120 Issue 19/20, p1-10, 10p