Search results
- 1.0587065 - FZÚ 2025 RIV US eng J - Journal Article
Song, S. - Pinar Solé, Andrés - Matěj, Adam - Li, G. - Stetsovych, Oleksandr - Soler Polo, Diego Manuel - Yang, H. - Telychko, M. - Li, J. - Kumar, Manish - Chen, Qifan - Edalatmanesh, Shayan - Brabec, Jiří - Veis, Libor - Wu, J. - Jelínek, Pavel - Lu, J.
Highly entangled polyradical nanographene with coexisting strong correlation and topological frustration.
Nature Chemistry. Roč. 16, č. 6 (2024), s. 938-944. ISSN 1755-4330. E-ISSN 1755-4349
R&D Projects: GA MŠMT LM2023051; GA ČR(CZ) GA23-05486S
Institutional support: RVO:68378271 ; RVO:61388955
Keywords : on-surface synthesis * SPM * strongly correlated systems * PAH
OECD category: Physical chemistry; Physical chemistry (UFCH-W)
Impact factor: 21.8, year: 2022
Permanent Link: https://hdl.handle.net/11104/0354370 - 2.0585709 - FZÚ 2025 RIV DE eng J - Journal Article
Zuzak, R. - Kumar, Manish - Stoica, O. - Soler Polo, Diego Manuel - Brabec, Jiří - Pernal, K. - Veis, Libor - Blieck, R. - Echavarren, A. M. - Jelínek, Pavel - Godlewski, S.
On-surface synthesis and determination of the open-shell singlet ground state of tridecacene.
Angewandte Chemie - International Edition. Roč. 63, č. 9 (2024), č. článku e202317091. ISSN 1433-7851. E-ISSN 1521-3773
R&D Projects: GA MŠMT LM2023051; GA ČR(CZ) GA23-05486S
Institutional support: RVO:68378271 ; RVO:61388955
Keywords : diradicals * higher acenes * inelastic excitation * many-body calculations * open-shell compounds
OECD category: Condensed matter physics (including formerly solid state physics, supercond.); Physical chemistry (UFCH-W)
Impact factor: 16.6, year: 2022
Permanent Link: https://hdl.handle.net/11104/0353414 - 3.0581634 - ÚFCH JH 2025 RIV US eng J - Journal Article
Matoušek, Mikuláš - Pernal, K. - Pavošević, F. - Veis, Libor
Variational Quantum Eigensolver Boosted by Adiabatic Connection.
Journal of Physical Chemistry A. Roč. 128, č. 3 (2024), s. 687-698. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA ČR GF23-04302L
Research Infrastructure: e-INFRA CZ II - 90254
Institutional support: RVO:61388955
Keywords : Algorithms * Mathematical methods * Wave function
OECD category: Physical chemistry
Impact factor: 2.9, year: 2022
Method of publishing: Open access
https://pubs.acs.org/doi/full/10.1021/acs.jpca.3c07590
Permanent Link: https://hdl.handle.net/11104/0349742 - 4.0580139 - 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 - 5.0576888 - ÚFCH JH 2024 RIV US eng J - Journal Article
Drwal, D. - Matoušek, Mikuláš - Golub, Pavlo - Tucholska, A. - Hapka, M. - Brabec, Jiří - Veis, Libor - Pernal, K.
Role of Spin Polarization and Dynamic Correlation in Singlet–Triplet Gap Inversion of Heptazine Derivatives.
Journal of Chemical Theory and Computation. Roč. 19, č. 21 (2023), s. 7606-7616. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR GF23-04302L
Research Infrastructure: e-INFRA CZ II - 90254
Institutional support: RVO:61388955
Keywords : Energy * Determinants * Quantum mechanics
OECD category: Physical chemistry
Impact factor: 5.5, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0346286File Download Size Commentary Version Access 0576888.pdf 0 5.9 MB open access Publisher’s postprint open-access - 6.0568898 - ÚFCH JH 2024 RIV US eng J - Journal Article
Matoušek, Mikuláš - Hapka, M. - Veis, Libor - Pernal, K.
Toward more accurate adiabatic connection approach for multireference wavefunctions.
Journal of Chemical Physics. Roč. 158, č. 5 (2023), č. článku 054105. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR GF23-04302L
Institutional support: RVO:61388955
Keywords : Approximation algorithms * Quantum theory * Statistical mechanics
OECD category: Physical chemistry
Impact factor: 4.4, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0340176File Download Size Commentary Version Access 0568898.pdf 2 4.4 MB open access Publisher’s postprint open-access - 7.0567634 - ÚFCH JH 2024 RIV US eng J - Journal Article
Beran, Pavel - Pernal, K. - Pavošević, F. - Veis, Libor
Projection-Based Density Matrix Renormalization Group in Density Functional Theory Embedding.
Journal of Physical Chemistry Letters. Roč. 14, č. 3 (2023), s. 716-722. ISSN 1948-7185
R&D Projects: GA ČR GF23-04302L
Institutional support: RVO:61388955
Keywords : Chemical calculations,Density functional theory,Embedding,Energy,Molecular structure * Density functional theory * Embedding
OECD category: Physical chemistry
Impact factor: 5.7, year: 2022
Method of publishing: Limited access
Permanent Link: https://hdl.handle.net/11104/0338866File Download Size Commentary Version Access 0567634.pdf 0 1.9 MB Publisher’s postprint require - 8.0561260 - FZÚ 2023 RIV US eng J - Journal Article
Biswas, K. - Urbani, M. - Sánchez-Grande, A. - Soler Polo, Diego Manuel - Lauwaet, K. - Matěj, Adam - Mutombo, Pingo - Veis, Libor - Brabec, Jiří - Pernal, K. - Gallego, J. M. - Miranda, R. - Écija, D. - Jelínek, Pavel - Torres, T. - Urgel, J. I.
Interplay between π-conjugation and exchange magnetism in one-dimensional porphyrinoid polymers.
Journal of the American Chemical Society. Roč. 144, č. 28 (2022), s. 12725-12731. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA ČR(CZ) GX20-13692X; GA ČR(CZ) GJ19-13126Y
Grant - others:AV ČR(CZ) AP1601
Program: Akademická prémie - Praemium Academiae
Research Infrastructure: CzechNanoLab - 90110
Institutional support: RVO:68378271 ; RVO:61388955
Keywords : nc-AFM * on surface chemistry * polymers
OECD category: Condensed matter physics (including formerly solid state physics, supercond.); Physical chemistry (UFCH-W)
Impact factor: 15, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0333953File Download Size Commentary Version Access 0561260.pdf 2 5.2 MB CC Licence Publisher’s postprint open-access - 9.0560978 - ÚFCH JH 2023 RIV GB eng J - Journal Article
Veis, Libor
A further step towards the practical application of quantum computing in chemistry.
Communications Chemistry. Roč. 5, JUL 2022 (2022), č. článku 108. ISSN 2399-3669. E-ISSN 2399-3669
Grant - others:GA ČR(CZ) 22-04302L
Institutional support: RVO:61388955
Keywords : quantum computing * computing chemistry * theoretical chemistry
OECD category: Physical chemistry
Impact factor: 5.9, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0333739File Download Size Commentary Version Access 0560978.pdf 0 500.9 KB open access Publisher’s postprint open-access - 10.0557671 - ÚFCH JH 2023 RIV US eng J - Journal Article
Drwal, D. - Beran, Pavel - Hapka, M. - Modrzejewski, M. - Sokól, A. - Veis, Libor - Pernal, K.
Efficient Adiabatic Connection Approach for Strongly Correlated Systems: Application to Singlet–Triplet Gaps of Biradicals.
Journal of Physical Chemistry Letters. Roč. 13, č. 20 (2022), s. 4570-4578. ISSN 1948-7185
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388955
Keywords : RANDOM-PHASE-APPROXIMATION * 2ND-ORDER PERTURBATION-THEORY * MATRIX RENORMALIZATION-GROUP
OECD category: Physical chemistry
Impact factor: 5.7, year: 2022
Method of publishing: Open access
Permanent Link: http://hdl.handle.net/11104/0331580File Download Size Commentary Version Access 0557671.pdf 1 3.8 MB open access Publisher’s postprint open-access