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- 1.0539511 - ÚFCH JH 2022 RIV US eng J - Journal Article
Barcza, Gergely - Ivády, V. - Szilvási, T. - Vörös, M. - Veis, Libor - Gali, A. - Legeza, Ö.
DMRG on Top of Plane-Wave Kohn-Sham Orbitals: A Case Study of Defected Boron Nitride.
Journal of Chemical Theory and Computation. Roč. 17, č. 2 (2021), s. 1143-1154. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR(CZ) GJ18-18940Y
Institutional support: RVO:61388955
Keywords : DMRG * Kohn-Sham orbitals * bprpn nitride
OECD category: Physical chemistry
Impact factor: 6.578, year: 2021
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0317244File Download Size Commentary Version Access 0539511.pdf 1 1.5 MB Publisher’s postprint require 0539511preprint.pdf 0 1 MB Author´s preprint open-access - 2.0474774 - ÚFCH JH 2018 RIV GB eng J - Journal Article
Szalay, S. - Barcza, G. - Szilvási, T. - Veis, Libor - Legeza, Ö.
The correlation theory of the chemical bond.
Scientific Reports. Roč. 7, MAY 2017 (2017), č. článku 2237. ISSN 2045-2322. E-ISSN 2045-2322
R&D Projects: GA ČR GA16-12052S
Institutional support: RVO:61388955
Keywords : density matrix * quantum chemistry * theoretical model
OECD category: Physical chemistry
Impact factor: 4.122, year: 2017
Method of publishing: Open access
Permanent Link: http://hdl.handle.net/11104/0271726File Download Size Commentary Version Access 0474774.pdf 1 2 MB open access Publisher’s postprint open-access