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Simulating strongly correlated systems with fermionic alkaline earth atom isotops
in optical lattices and related quantum chemistry of transition metal complexes
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Here you can view and search the projects funded by NKFI since 2004
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Hagymási I, Itai K*, Sólyom J: Periodic Anderson model with correlated conduction electrons: Variational and exact diagonalization study, Physical Review B, 85, 235116/1-13, 2012 | Hagymási I, Itai K*, Sólyom J: Periodic Anderson model with d-f interaction, Proceedings of the European Conference Physics of Magnetism 2011, Poznan, Acta Physica Polonica, 2012 | Barcza G, Legeza Ö, Noack R M*, Sólyom J: On the dimerized phase in the cross-coupled antiferromagnetic spin ladder, Phys. Rev. B 86, 075133, 2012 | Schneider R*, Rohwedder T*, Legeza Ö: Numerical approaches for high-dimensional PDE's for quantum chemistry, Encyclopedia of Applied and Computational Mathematics, B. Engquist edt., Springer, 2013 | Barcza G, Szirmai E, Legeza Ö, Sólyom J: Emergence of Quintet Superfluidity in the Chain of Partially Polarized Spin-3/2 Ultracold Atom, Phys. Rev. A Rapid Com 86, 061602, 2012 | Boguslawski K, Marti K. H., Legeza Ö, Reiher M: Accurate ab initio spin densities, J. Chem. Theory Comput. 2012, 8, 1970-1982., 2012 | Boguslawski K, Tecmer P, Legeza Ö, and Reiher M: Entanglement Measures for Single- and Multi-Reference Correlation Effects, J. Phys. Chem. Lett., 2012, 3 (21), 3129-3135, 2012 | Ö. Legeza, M. Reiher, B. Paulus, R. Schneider: Entanglement based approaches in quantum chemsitry (EBAQC), MPI-PKS, Dresden, 2012 | Barcza G, Gebhard F, Legeza O: Rigorous treatment of strong electronic correlations in polydiacetylene chains, MOLECULAR PHYSICS 111:(16-17) pp. 2506-2515., 2013 | Barcza G, Barford W, Gebhard F, Legeza O: Excited states in polydiacetylene chains: A density matrix renormalization group study, PHYSICAL REVIEW B CONDENSED MATTER AND MATERIALS PHYSICS 87:(24) Paper 245116. 16 p., 2013 | Boguslawski K, Tecmer P, Barcza G, Legeza O, Reiher M: Orbital entanglement in bond-formation processes, JOURNAL OF CHEMICAL THEORY AND COMPUTATION 9:(7) pp. 2959-2973., 2013 | Csaba Nemes, Gergely Barcza, Zoltan Nagy, Ors Legeza, Peter Szolgay: Implementation trade-offs of the density matrix renormalization group algorithm on kilo-processor architectures, In: 21st European Conference on Circuit Theory and Design DOI:10.1109/ECCTD.2013.6662251, 2013 | Hagymasi I, Itai K, Solyom J: Hubbard physics in the symmetric half-filled periodic anderson-hubbard model, JOURNAL OF THE KOREAN PHYSICAL SOCIETY 62:(10) pp. 1423-1426, 2013 | Hagymási I, Itai K, Sólyom J: Quantum criticality and first-order transitions in the extended periodic Anderson model, PHYSICAL REVIEW B CONDENSED MATTER AND MATERIALS PHYSICS 87:(12) Paper 125146. 7 p., 2013 | Szalay Sz: Quantum entanglement in finite-dimensional Hilbert spaces, arXiv:1302.4654, 2013 | Örs Legeza, Thorsten Rohwedder, Reinhold Schneider, Szilárd Szalay: Tensor Product Approximation (DMRG) and Coupled Cluster method in Quantum Chemistry, arXiv:1310.2736 accepted for publ in "Many-Electron Approaches in Physics, Chemistry and Mathematics" by V. Bach and L. Delle Site, 2013 | Timár Máte: Erősen korrelált rendszerek vizsgálata renormálási módszerekkel, BsC Thesis, 2013 | Nemes Cs, Barcza G, Nagy Z, Legeza Ö, Szolgay P: The density matrix renormalization group algorithm on kilo-processor architectures: implementation and trade-offs, arXiv:1309.5571 accepted for publ in Computer Physics Communications, 2013 | Stefan Knecht, Ors Legeza, Markus Reiher: Four-Component Density Matrix Renormalization Group, arXiv:1312.0970 accepted for publ in Journal of Chemical Physics, 2013 | Pawel Tecmer, Katharina Boguslawski, Ors Legeza, Markus Reiher: Unravelling the quantum-entanglement effect of noble gas coordination on the spin ground state of CUO, Phys. Chem. Chem. Phys, 16, 719–727., 2014 | Edina Szirmai: Two-orbital physics of high spin fermionic alkaline earth atoms confined in a one-dimensional chain, Phys. Rev. B, 88 195432, 2013 | P. Sinkovicz, A. Zamora, E. Szirmai, M. Lewenstein, G. Szirmai: Spin liquid phases of alkaline-earth-metal atoms at finite temperature, Phys. Rev. A 88, 043619, 2013 | Örs Legeza, Thorsten Rohwedder, Reinhold Schneider, Szilárd Szalay: Tensor Product Approximation (DMRG) and Coupled Cluster method in Quantum Chemistry, arXiv:1310.2736; In: Bach V , Delle Site L Many-Electron Approaches in Physics, Chemistry and Mathematics . Heidelberg: SIP. 2014. pp 53-76 ISBN:978-3-319-06378-2, 2013 | Nemes Cs, Barcza G, Nagy Z, Legeza Ö, Szolgay P: The density matrix renormalization group algorithm on kilo-processor architectures: implementation and trade-offs, arXiv:1309.5571; COMPUTER PHYSICS COMMUNICATIONS 185:(6) pp. 1570-1581. (2014), 2014 | Stefan Knecht, Ors Legeza, Markus Reiher: Four-Component Density Matrix Renormalization Group, JOURNAL OF CHEMICAL PHYSICS 140:(4) Paper 041101. 5 p. (2014), 2014 | Fertitta E , Paulus B , Barcza G , Legeza Ö: Investigation of metal-insulator-like transition through the ab initio density matrix renormalization group approach, PHYSICAL REVIEW B CONDENSED MATTER AND MATERIALS PHYSICS 90:(24) Paper 245129. (2014), 2014 | Hagymasi I , Solyom J , Legeza Ö: Interorbital interaction in the one-dimensional periodic Anderson model: A density-matrix renormalization-group study, PHYSICAL REVIEW B CONDENSED MATTER AND MATERIALS PHYSICS 90: Paper 125137. 10 p. (2014), 2014 | Magda GZs , Jin XZ , Hagymási I , Vancsó P , Osváth Z , Nemes-Incze P , Hwang CY , Biro LP , Tapasztó L: Room-temperature magnetic order on zigzag edges of narrow graphene nanoribbons, NATURE: INTERNATIONAL WEEKLY JOURNAL OF SCIENCE 514: pp. 608-611. (2014), 2014 | Mottet M , Tecmer P , Boguslawski K , Legeza Ö , Reiher M: Quantum entanglement in carbon-carbon, carbon-phosphorus and silicon-silicon bonds, PHYSICAL CHEMISTRY CHEMICAL PHYSICS 16:(19) pp. 8872-8880. (2014), 2014 | G. Barcza, R. M. Noack, and J. Sólyom, Ö Legeza: Entanglement patterns and generalized correlation functions in quantum many body systems, arXiv:1406.6643, submitted to JSTAT, 2014 | G. Barcza, E. Szirmai, J. Sólyom, Ö. Legeza: Phase Separation of Superfluids in the Chain of Four-Component Ultracold Atoms, Accepted for publication in EPJ (2014), arXiv 1409.4867, 2015 | V M.urg, F. Verstraete, R. Schneider, P. R. Nagy, O. Legeza: Tree tensor network state study of the ionic-neutral curve crossing of LiF, arXiv:1403.0981 aceepted for publication in 5JCTC, 2015 | 16. Corinne Duperrouzel, Paweł Tecmer, Katharina Boguslawski, Gergerly Barcza, Örs Legeza, Paul W. Ayers: A quantum informational approach for dissecting chemical reactions, Chemical Physics Letters 621:160-164. DOI: 10.1016/j.cplett.2015.01.005, 2015 | 17. Szilárd Szalay, Max Pfeffer, Valentin Murg , Gergely Barcza, Frank Verstraete, Reinhold Schneider, Ö. Legeza: Tensor product methods and entanglement optimization for ab initio quantum chemistry, accepted for publication in Int. Jour. Quant. Chem. arxiv:14125829, 2015 | Ö. Legeza: New wavefucntion methods and entanglement optimizations in quantum chemistry, http://tagung-theoretische-chemie.uni-graz.at/en/past-workshops/workshop-2014/, Lecture Notes, 2014 | Ö. Legeza: Generalized tensor methods and entanglement measurements for strongly correlated systems, http://ldqs.iyte.edu.tr/wp-content/uploads/2014/08/Legeza_izmir_2014_v01.pdf, Lecture Notes, 2014 | Szalay S: Entanglement and correlations: an introduction, 4 September 2014, Budapest, Wigner FK (2014), 2014 | Hagymási I: Nehézfermionos és vegyes valenciájú viselkedés kiterjesztett periodikus Anderson-modellekben, PhD Thesis 2014, 2014 | E. Szirmai, and H. Nonne: Competing valence bond states of spin-3/2 fermions on strongly coupled ladder, Phys. Rev. B 90, 245135 (2014), 2014 | Barcza G, Legeza Ö, Noack R M*, Sólyom J: On the dimerized phase in the cross-coupled antiferromagnetic spin ladder, Phys. Rev. B 86, 075133, 2012 | Barcza G, Szirmai E, Legeza Ö, Sólyom J: Emergence of Quintet Superfluidity in the Chain of Partially Polarized Spin-3/2 Ultracold Atom, Phys. Rev. A Rapid Com 86, 061602, 2012 | Boguslawski K, Marti K. H., Legeza Ö, Reiher M: Accurate ab initio spin densities, J. Chem. Theory Comput. 2012, 8, 1970-1982., 2012 | Boguslawski K, Tecmer P, Legeza Ö, and Reiher M: Entanglement Measures for Single- and Multi-Reference Correlation Effects, J. Phys. Chem. Lett., 2012, 3 (21), 3129-3135, 2012 | Barcza G, Gebhard F, Legeza O: Rigorous treatment of strong electronic correlations in polydiacetylene chains, MOLECULAR PHYSICS 111:(16-17) pp. 2506-2515., 2013 | Barcza G, Barford W, Gebhard F, Legeza O: Excited states in polydiacetylene chains: A density matrix renormalization group study, PHYSICAL REVIEW B CONDENSED MATTER AND MATERIALS PHYSICS 87:(24) Paper 245116. 16 p., 2013 | Boguslawski K, Tecmer P, Barcza G, Legeza O, Reiher M: Orbital entanglement in bond-formation processes, JOURNAL OF CHEMICAL THEORY AND COMPUTATION 9:(7) pp. 2959-2973., 2013 | Hagymasi I, Itai K, Solyom J: Hubbard physics in the symmetric half-filled periodic anderson-hubbard model, JOURNAL OF THE KOREAN PHYSICAL SOCIETY 62:(10) pp. 1423-1426, 2013 | Stefan Knecht, Ors Legeza, Markus Reiher: Four-Component Density Matrix Renormalization Group, JOURNAL OF CHEMICAL PHYSICS 140:(4) Paper 041101. 5 p. (2014), 2014 | Pawel Tecmer, Katharina Boguslawski, Ors Legeza, Markus Reiher: Unravelling the quantum-entanglement effect of noble gas coordination on the spin ground state of CUO, Phys. Chem. Chem. Phys, 16, 719–727., 2014 | Fertitta E , Paulus B , Barcza G , Legeza Ö: Investigation of metal-insulator-like transition through the ab initio density matrix renormalization group approach, PHYSICAL REVIEW B CONDENSED MATTER AND MATERIALS PHYSICS 90:(24) Paper 245129. (2014), 2014 | Hagymasi I , Solyom J , Legeza Ö: Interorbital interaction in the one-dimensional periodic Anderson model: A density-matrix renormalization-group study, PHYSICAL REVIEW B CONDENSED MATTER AND MATERIALS PHYSICS 90: Paper 125137. 10 p. (2014), 2014 | Magda GZs , Jin XZ , Hagymási I , Vancsó P , Osváth Z , Nemes-Incze P , Hwang CY , Biro LP , Tapasztó L: Room-temperature magnetic order on zigzag edges of narrow graphene nanoribbons, NATURE: INTERNATIONAL WEEKLY JOURNAL OF SCIENCE 514: pp. 608-611. (2014), 2014 | Mottet M , Tecmer P , Boguslawski K , Legeza Ö , Reiher M: Quantum entanglement in carbon-carbon, carbon-phosphorus and silicon-silicon bonds, PHYSICAL CHEMISTRY CHEMICAL PHYSICS 16:(19) pp. 8872-8880. (2014), 2014 | G. Barcza, R. M. Noack, and J. Sólyom, Ö Legeza: Entanglement patterns and generalized correlation functions in quantum many body systems, Phys. Rev. B 92, 125140 (2015), 2015 | G. Barcza, E. Szirmai, J. Sólyom, Ö. Legeza: Phase Separation of Superfluids in the Chain of Four-Component Ultracold Atoms, Eur. Phys. J. ST 224: 533-538 (2015), 2015 | V M.urg, F. Verstraete, R. Schneider, P. R. Nagy, O. Legeza: Tree tensor network state study of the ionic-neutral curve crossing of LiF, J. Chem. Theory Comput. 11, 1027-1036 (2015), 2015 | 16. Corinne Duperrouzel, Paweł Tecmer, Katharina Boguslawski, Gergerly Barcza, Örs Legeza, Paul W. Ayers: A quantum informational approach for dissecting chemical reactions, Chem. Phys. Lett. 621, 160-164 (2015), 2015 | 17. Szilárd Szalay, Max Pfeffer, Valentin Murg , Gergely Barcza, Frank Verstraete, Reinhold Schneider, Ö. Legeza: Tensor product methods and entanglement optimization for ab initio quantum chemistry, Int. J. Quant. Chem. \textbf{115}, 1342-1391 (2015), 2015 | W. Brzezicki, I. Hagymási, J. Dziarmaga, Ö. Legeza: Second-order Peierls transition in the spin-orbital Kumar-Heisenberg model, Phys. Rev. B 91, 205137 (2015), 2015 | E. Fertitta, B. Paulus, G. Barcza, Ö. Legeza: On the calculation of complete dissociation curves of closed-shell pseudo-onedimensional systems through the multireference method of increments, J. Chem. Phys. 143, 114108 (2015), 2015 | G. Ehlers, J. Sólyom, Ö. Legeza, R. M. Noack: Entanglement structure of the Hubbard model in momentum space, Phys. Rev. B 92, 235116 (2015), 2015 | I. Hagymási, J. Sólyom, Ö. Legeza: Competition between Hund's coupling and Kondo effect in a one-dimensional extended periodic Anderson model, Phys. Rev. B 92, 035108, (2015), 2015 | I. Hagymási, J. Sólyom, Ö. Legeza: Momentum distribution functions in a one-dimensional extended periodic Anderson model, Adv. in Cond. Mat. Phys. 2015, 614017 (2015), 2015 | Ö Legeza, L Veis, A Poves, J Dukelsky: Advanced density matrix renormalization group method for nuclear structure calculations, Phys. Rev. C \textbf{92}, 051303 (2015), 2015 | Yilin Zhao, Katharina Boguslawski, Pawe³ Tecmer, Corinne Duperrouzel, Gergely Barcza, Örs Legeza, Paul W Ayers: Dissecting the Bond Formation Process of $d^{10}$-Metal-Ethene Complexes with Multireference Approaches, Theor. Chem. Acc. 2015, 134:120 (2015), 2015 | Sz. Szalay: Multipartite entanglement measures, Phys. Rev. A 92, 042329 (2015), 2015 | C. Krumnow, Ö. Legeza, J. Eisert: Fermionic orbital optimisation in tensor network states, arXiv:1504.00042 (2015) submitted to Phys. Rev. Lett, 2015 | T. Szilvási, G. Barcza, Ö. Legeza: Concept of chemical bond and aromaticity based on quantum information theory, arXiv:1509.04241 submitted to JACS, 2015 | M. Timár, G. Barcza, F. Gebhard, L. Veis, Ö. Legeza: Hückel--Hubbard-Ohno modeling of $\pi$-bonds in ethene and ethyne with application to trans-polyacetylene, arXiv:1512.03229 submitted to PCCP, 2015 | E. Szirmai, G. Barcza, J. Sólyom, Ö. Legeza: Interplay between exotic superfluidity and magnetism in a chain of four-component ultracold atoms, arXiv:1512.06669 submitted to Phys Rev Lett, 2015 | M. Timár: Investigation of low energy optical properties of a $\pi$-conjugated polymer, OTDK Thesis, 2015 | M. Timár: Investigation of low energy optical properties of a $\pi$-conjugated polymer, BME, 2015 | G. Barcza: Nonlocal density matrix renormalization group applied to strongly correlated systems, ELTE, 2015 | D. Jakab, E. Szirmai, M. Lewenstein, G. Szirmai: Competing valence bond and symmetry breaking Mott states of spin-3/2 fermions on a honeycomb lattice, http://arxiv.org/abs/1509.07362, submitted to Phys Rev B, 2015 |
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