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- 1.0581634 - 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 - 2.0576888 - 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 - 3.0568898 - 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 - 4.0567634 - 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