Search results
- 1.0543571 - ÚFCH JH 2022 RIV GB eng J - Journal Article
Bauman, N. P. - Chládek, J. - Veis, Libor - Pittner, Jiří - Kowalski, K.
Variational quantum eigensolver for approximate diagonalization of downfolded Hamiltonians using generalized unitary coupled cluster ansatz.
Quantum Science and Technology. Roč. 6, JUN 2021 (2021), č. článku 034008. ISSN 2058-9565. E-ISSN 2058-9565
R&D Projects: GA MŠMT(CZ) LTAUSA17033
Institutional support: RVO:61388955
Keywords : quantum chemistry * variational quantum eigensolver * generalized unitary coupled clusters
OECD category: Physical chemistry
Impact factor: 6.568, year: 2021
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0320757File Download Size Commentary Version Access 0543571.pdf 5 2.4 MB Publisher’s postprint require - 2.0524283 - ÚFCH JH 2021 RIV US eng J - Journal Article
Lang, Jakub - Antalík, Andrej - Veis, Libor - Brandejs, Jan - Brabec, Jiří - Legeza, Ö. - Pittner, Jiří
Near-Linear Scaling in DMRG-Based Tailored Coupled Clusters: An Implementation of DLPNO-TCCSD and DLPNO-TCCSD(T).
Journal of Chemical Theory and Computation. Roč. 16, č. 5 (2020), s. 3028-3040. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR(CZ) GA18-24563S; GA ČR GA16-12052S; GA ČR(CZ) GJ18-18940Y; GA MŠMT(CZ) LTAUSA17033
Grant - others:Ga MŠk(CZ) LM2015070; AV ČR(CZ) MTA-19-04
Program: Bilaterální spolupráce
Institutional support: RVO:61388955
Keywords : Energy * Basis sets * Quantum mechanics * Chemical calculations
OECD category: Physical chemistry
Impact factor: 6.006, year: 2020
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0308654File Download Size Commentary Version Access 0524283.pdf 1 2.3 MB Publisher’s postprint require - 3.0517569 - ÚFCH JH 2020 RIV US eng J - Journal Article
Antalík, Andrej - Veis, Libor - Brabec, Jiří - Demel, Ondřej - Legeza, Ö. - Pittner, Jiří
Toward the efficient local tailored coupled cluster approximation and the peculiar case of oxo-Mn(Salen).
Journal of Chemical Physics. Roč. 151, č. 8 (2019), č. článku 084112. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR GA16-12052S; GA ČR(CZ) GJ18-18940Y; GA MŠMT(CZ) LTAUSA17033
Institutional support: RVO:61388955
Keywords : matrix renormalization-group * multireference perturbation-theory * correlated molecular calculations * consistent basis-sets * gaussian-basis sets * ab-initio * configuration-interaction * electronic states * equations * moments
OECD category: Physical chemistry
Impact factor: 2.991, year: 2019
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0302897File Download Size Commentary Version Access 0517569.pdf 1 2.1 MB Publisher’s postprint require - 4.0517392 - ÚFCH JH 2020 RIV US eng J - Journal Article
Faulstich, F. M. - Mate, M. - Laestadius, A. - Csirik, M. A. - Veis, Libor - Antalík, Andrej - Brabec, Jiří - Schneider, R. - Pittner, Jiří - Kvaal, S. - Legeza, Ö.
Numerical and Theoretical Aspects of the DMRG-TCC Method Exemplified by the Nitrogen Dimer.
Journal of Chemical Theory and Computation. Roč. 15, č. 4 (2019), s. 2206-2220. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR GA16-12052S; GA ČR(CZ) GJ18-18940Y; GA ČR(CZ) GA18-24563S; GA MŠMT(CZ) LTAUSA17033
Institutional support: RVO:61388955
Keywords : multireference coupled-cluster * matrix renormalization-group * wigner perturbation-theory * brillouin-wigner * fock-space * configuration-interaction * model * single * formalism * implementation
OECD category: Physical chemistry
Impact factor: 5.011, year: 2019
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0302709File Download Size Commentary Version Access 0517392.pdf 6 1.4 MB open access Publisher’s postprint open-access - 5.0505693 - ÚFCH JH 2020 RIV US eng J - Journal Article
Brandejs, Jan - Veis, Libor - Szalay, S. - Barcza, G. - Pittner, Jiří - Legeza, Ö.
Quantum information-based analysis of electron-deficient bonds.
Journal of Chemical Physics. Roč. 150, č. 20 (2019), č. článku 204117. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR GA16-12052S; GA ČR(CZ) GA18-24563S; GA ČR(CZ) GJ18-18940Y; GA MŠMT(CZ) LTAUSA17033
Grant - others:AV ČR(CZ) MTA-16-05
Program: Bilaterální spolupráce
Institutional support: RVO:61388955
Keywords : correlation theory * quantum chemistry * electron-deficient bonds
OECD category: Physical chemistry
Impact factor: 2.991, year: 2019
Method of publishing: Open access with time embargo
Permanent Link: http://hdl.handle.net/11104/0297104File Download Size Commentary Version Access 0505693open.pdf 2 7.3 MB green open access Author´s preprint open-access 0505693.pdf 2 2.5 MB Publisher’s postprint open-access - 6.0495139 - ÚFCH JH 2019 RIV CZ cze J - Journal Article
Veis, Libor - Brandejs, J. - Pittner, Jiří
Silně korelované systémy a metoda renormalizační grupy matice hustoty v kvantové chemii.
[Strongly Correlated Systems and the Method of the Renormalization Group Matrix in Quantum Chemistry.]
Chemické listy. Roč. 112, č. 10 (2018), s. 655-666. ISSN 0009-2770. E-ISSN 1213-7103
R&D Projects: GA ČR GA16-12052S; GA ČR(CZ) GA18-24563S; GA ČR(CZ) GJ18-18940Y; GA MŠMT(CZ) LTAUSA17033
Institutional support: RVO:61388955
Keywords : quantum chemistry * correlation * DMRG
OECD category: Physical chemistry
Impact factor: 0.311, year: 2018
Permanent Link: http://hdl.handle.net/11104/0288155File Download Size Commentary Version Access 0495139.pdf 3 623 KB Publisher’s postprint require - 7.0489863 - ÚFCH JH 2019 RIV US eng J - Journal Article
Veis, Libor - Antalík, Andrej - Legeza, Ö. - Alavi, A. - Pittner, Jiří
The Intricate Case of Tetramethyleneethane: A Full Configuration Interaction Quantum Monte Carlo Benchmark and Multireference Coupled Cluster Studies.
Journal of Chemical Theory and Computation. Roč. 14, č. 5 (2018), s. 2439-2445. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR GA16-12052S; GA MŠMT(CZ) LTAUSA17033
Grant - others:Ga MŠk(CZ) LM2015070; AV ČR(CZ) MTA-16-05
Program: Bilaterální spolupráce
Institutional support: RVO:61388955
Keywords : MATRIX RENORMALIZATION-GROUP * SINGLE-REFERENCE FORMALISM * GROUND-STATE TRIPLET
OECD category: Physical chemistry
Impact factor: 5.313, year: 2018
Permanent Link: http://hdl.handle.net/11104/0284183File Download Size Commentary Version Access 0489863.pdf 5 313.4 KB Publisher’s postprint require