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- 1.0580139 - ÚFCH JH 2024 RIV US eng J - Journal Article
Demel, Ondřej - Brandejs, Jan - Lang, Jakub - Brabec, Jiří - Veis, Libor - Legeza, Ö. - Pittner, Jiří
Hilbert space multireference coupled cluster tailored by matrix product states.
Journal of Chemical Physics. Roč. 159, č. 22 (2023), č. článku 224115. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR(CZ) GA18-24563S; GA ČR(CZ) GA19-01897S
Research Infrastructure: e-INFRA CZ II - 90254; e-INFRA CZ - 90140
Institutional support: RVO:61388955
Keywords : HOMO and LUMO * Hilbert-space multi-reference coupled-cluster method * Coupled-cluster methods
OECD category: Physical chemistry
Impact factor: 4.4, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0348905File Download Size Commentary Version Access 0580139.pdf 3 5.9 MB open access Publisher’s postprint open-access - 2.0569771 - ÚFCH JH 2024 RIV US eng J - Journal Article
Demel, Ondřej - Lecours, M. J. - Nooijen, M.
Further investigations into a Laplace MP2 method using range separated Coulomb potential and Orbital Selective Virtuals: Multipole correction, OSV extrapolation and critical assessment.
Journal of Chemical Physics. Roč. 158, č. 11 (2023), č. článku 114120. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR(CZ) GA19-01897S
Institutional support: RVO:61388955
Keywords : Laplace MP2 method * Fourier transform * Coulomb potential
OECD category: Physical chemistry
Impact factor: 4.4, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0341108File Download Size Commentary Version Access 0569771.pdf 0 6.1 MB open access Publisher’s postprint open-access - 3.0547348 - ÚFCH JH 2022 RIV US eng J - Journal Article
Demel, Ondřej - Lecours, M. J. - Habrovský, Richard - Nooijen, M.
Toward Laplace MP2 method using range separated Coulomb potential and orbital selective virtuals.
Journal of Chemical Physics. Roč. 155, č. 15 (2021), č. článku 154104. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR(CZ) GA19-01897S
Institutional support: RVO:61388955
Keywords : Electric fields * Fourier transforms * Matrix algebra
OECD category: Physical chemistry
Impact factor: 4.304, year: 2021
Method of publishing: Open access with time embargo
Permanent Link: http://hdl.handle.net/11104/0323591File Download Size Commentary Version Access 0547348.pdf 4 5.6 MB Publisher’s postprint open-access