0465777 - ÚFCH JH 2017 RIV US eng J - Journal Article
Krumnow, C. - Veis, Libor - Legeza, Ö. - Eisert, J.
Fermionic Orbital Optimization in Tensor Network States.
Physical Review Letters. Roč. 117, č. 21 (2016), s. 210402. ISSN 0031-9007
R&D Projects: GA ČR GA16-12052S
Institutional Support: RVO:61388955
Keywords: Ground state * Linear transformations * quantum chemistry
Subject RIV: CF - Physical & Theoretical Chemistry
Impact factor: 8.462, year: 2016
Permanent link: http://hdl.handle.net/11104/0264232

0494028 - ÚOCHB 2019 RIV DE eng J - Journal Article
Nachtigallová, Dana - Antalík, Andrej - Lo, Rabindranath - Sedlák, Robert - Manna, Debashree - Tuček, J. - Ugolotti, J. - Veis, Libor - Legeza, Ö. - Pittner, Jiří - Zbořil, R. - Hobza, Pavel
An Isolated Molecule of Iron(II) Phthalocyanin Exhibits Quintet Ground-State: A Nexus between Theory and Experiment.
Chemistry - A European Journal. Roč. 24, č. 51 (2018), s. 13413-13417. ISSN 0947-6539
R&D Projects: GA MŠk(CZ) LM2015073; GA ČR(CZ) GA16-16959S; GA ČR GA16-12052S; GA ČR(CZ) GJ18-18940Y; GA ČR(CZ) GA18-24563S
Institutional Support: RVO:61388963 ; RVO:61388955
Keywords: density functional calculations * iron * magnetism * Mössbauer spectroscopy * SQUID measurements
Subject RIV: CF - Physical & Theoretical Chemistry; CF - Physical & Theoretical Chemistry
Obor OECD: Physical chemistry; Physical chemistry (UFCH-W)
Impact factor: 5.160, year: 2018
Zbořil, R.
- Hobza, Pavel
Permanent link: http://hdl.handle.net/11104/0287272

0460632 - ÚFCH JH 2017 RIV GB eng J - Journal Article
Timár, M. - Barcza, G. - Gebhard, F. - Veis, Libor - Legeza, Ö.
Hückel–Hubbard–Ohno modeling of π-bonds in ethene and ethyne with application to trans-polyacetylene.
Physical Chemistry Chemical Physics. Roč. 18, č. 28 (2016), s. 18835-18845. ISSN 1463-9076
R&D Projects: GA ČR GA16-12052S; GA ČR(CZ) GJ15-10279Y
Institutional Support: RVO:61388955
Keywords: MATRIX RENORMALIZATION-GROUP * initio quantum chemistry * CHARGE REPULSION
Subject RIV: CF - Physical & Theoretical Chemistry
Impact factor: 4.123, year: 2016
Permanent link: http://hdl.handle.net/11104/0260645

0484081 - ÚFCH JH 2018 US eng J - Journal Article
Veis, Libor - Antalík, Andrej - Brabec, Jiří - Neese, F. - Legeza, Ö. - Pittner, Jiří
Correction to Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions.
Journal of Physical Chemistry Letters. Roč. 8, č. 1 (2017), s. 291-291. ISSN 1948-7185
Institutional Support: RVO:61388955
Keywords: correction * coupled cluster method * Matrix Product State Wave Functions
Subject RIV: CF - Physical & Theoretical Chemistry
Impact factor: 8.709, year: 2017
Permanent link: http://hdl.handle.net/11104/0279277

0427801 - ÚFCH JH 2015 RIV US eng M - Monograph chapter
Veis, Libor - Pittner, Jiří
Quantum Computing Approach to Nonrelativistic and Relativistic Molecular Energy Calculations.
Quantum Information and Computation for Chemistry. Hoboken: John Wiley, 2014 - (Kais, S.), s. 107-135. Advances in Chemical Physics, Vol. 154. ISBN 978-1-118-49566-7
R&D Projects: GA ČR GA203/08/0626
Institutional Support: RVO:61388955
Keywords: full configuration interaction (FCI) calculations * nonrelativistic molecular hamiltonians * quantum computing
Subject RIV: CF - Physical & Theoretical Chemistry
Permanent link: http://hdl.handle.net/11104/0233276

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
R&D Projects: GA ČR GA16-12052S; GA ČR(CZ) GA18-24563S; GA ČR(CZ) GJ18-18940Y; GA MŠk(CZ) LTAUSA17033
Institutional Support: RVO:61388955
Keywords: quantum chemistry * correlation * DMRG
Subject RIV: CF - Physical & Theoretical Chemistry
Obor OECD: Physical chemistry
Impact factor: 0.311, year: 2018

Veis, Libor Pittner, Jiří
Permanent link: http://hdl.handle.net/11104/0288155