1. An Isolated Molecule of Iron(II) Phthalocyanin Exhibits Quintet Ground‐State: A Nexus between Theory and Experiment. Issue 51 (29th August 2018) Authors: Nachtigallová, Dana; Antalík, Andrej; Lo, Rabindranath; Sedlák, Robert; Manna, Debashree; Tuček, Jiří; Ugolotti, Juri; Veis, Libor; Legeza, Örs; Pittner, Jiří; Zbořil, Radek; Hobza, Pavel Journal: Chemistry Issue: Volume 24:Issue 51(2018) Page Start: 13413 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Corrigendum: An Isolated Molecule of Iron(II) Phthalocyanin Exhibits Quintet Ground‐State: A Nexus between Theory and Experiment. Issue 7 (21st January 2020) Authors: Nachtigallová, Dana; Antalík, Andrej; Lo, Rabindranath; Sedlák, Robert; Manna, Debashree; Tuček, Jiří; Ugolotti, Juri; Veis, Libor; Legeza, Örs; Pittner, Jiří; Zbořil, Radek; Hobza, Pavel Journal: Chemistry Issue: Volume 26:Issue 7(2020) Page Start: 1691 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Cover Feature: An Isolated Molecule of Iron(II) Phthalocyanin Exhibits Quintet Ground‐State: A Nexus between Theory and Experiment (Chem. Eur. J. 51/2018). Issue 51 (31st August 2018) Authors: Nachtigallová, Dana; Antalík, Andrej; Lo, Rabindranath; Sedlák, Robert; Manna, Debashree; Tuček, Jiří; Ugolotti, Juri; Veis, Libor; Legeza, Örs; Pittner, Jiří; Zbořil, Radek; Hobza, Pavel Journal: Chemistry Issue: Volume 24:Issue 51(2018) Page Start: 13381 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Elucidating cation–cation interactions in neptunyl dications using multi-reference ab initio theory. Issue 2 (14th December 2018) Authors: Łachmańska, Aleksandra; Tecmer, Paweł; Legeza, Örs; Boguslawski, Katharina Journal: Physical chemistry chemical physics Issue: Volume 21:Issue 2(2018) Page Start: 744 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Fermionic systems for quantum information people. (29th October 2021) Authors: Szalay, Szilárd; Zimborás, Zoltán; Máté, Mihály; Barcza, Gergely; Schilling, Christian; Legeza, Örs Journal: Journal of physics Issue: Volume 54:Number 39(2021) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Ground state of the Fe(ii)-porphyrin model system corresponds to quintet: a DFT and DMRG-based tailored CC study. Issue 30 (27th July 2020) Authors: Antalík, Andrej; Nachtigallová, Dana; Lo, Rabindranath; Matoušek, Mikuláš; Lang, Jakub; Legeza, Örs; Pittner, Jiří; Hobza, Pavel; Veis, Libor Journal: Physical chemistry chemical physics Issue: Volume 22:Issue 30(2020) Page Start: 17033 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Hückel–Hubbard–Ohno modeling of π-bonds in ethene and ethyne with application to trans-polyacetylene. Issue 28 (27th June 2016) Authors: Timár, Máté; Barcza, Gergely; Gebhard, Florian; Veis, Libor; Legeza, Örs Journal: Physical chemistry chemical physics Issue: Volume 18:Issue 28(2016) Page Start: 18835 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Massively parallel quantum chemical density matrix renormalization group method. Issue 8 (30th December 2020) Authors: Brabec, Jiri; Brandejs, Jan; Kowalski, Karol; Xantheas, Sotiris; Legeza, Örs; Veis, Libor Journal: Journal of computational chemistry Issue: Volume 42:Issue 8(2021) Page Start: 534 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. On the multi-reference nature of plutonium oxides: PuO22+, PuO2, PuO3 and PuO2(OH)2. Issue 6 (24th January 2017) Authors: Boguslawski, Katharina; Réal, Florent; Tecmer, Paweł; Duperrouzel, Corinne; Gomes, André Severo Pereira; Legeza, Örs; Ayers, Paul W.; Vallet, Valérie Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 6(2017) Page Start: 4317 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Tensor product methods and entanglement optimization for ab initio quantum chemistry. Issue 19 (25th May 2015) Authors: Szalay, Szilárd; Pfeffer, Max; Murg, Valentin; Barcza, Gergely; Verstraete, Frank; Schneider, Reinhold; Legeza, Örs; Reiher, Markus Journal: International journal of quantum chemistry Issue: Volume 115:Issue 19(2015:Oct. 05) Page Start: 1342 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗