Ö. Legeza

发表

T3NS: Three-Legged Tree Tensor Network States.

F. Verstraete, D. Van Neck, Klaas Gunst, 2018, Journal of chemical theory and computation.

Tree Tensor Network State with Variable Tensor Order: An Efficient Multireference Method for Strongly Correlated Systems

R. Schneider, F. Verstraete, V. Murg, 2015, Journal of chemical theory and computation.

QC-DMRG study of the ionic-neutral curve crossing of LiF

B. A. Hess, Ö. Legeza, J. Röder, 2002 .

Toward the efficient local tailored coupled cluster approximation and the peculiar case of oxo-Mn(Salen).

J. Pittner, L. Veis, Ö. Legeza, 2019, The Journal of chemical physics.

Communication: four-component density matrix renormalization group.

Markus Reiher, Stefan Knecht, Örs Legeza, 2013, The Journal of chemical physics.

Quantum information-based analysis of electron-deficient bonds.

J. Pittner, L. Veis, Gergely Barcza, 2019, The Journal of chemical physics.

Entanglement Measures for Single- and Multireference Correlation Effects.

M. Reiher, Ö. Legeza, Katharina Boguslawski, 2012, The journal of physical chemistry letters.

Compressing multireference character of wave functions via fermionic mode optimization

Ö. Legeza, Szilárd Szalay, Mihály Máté, 2022, Journal of Mathematical Chemistry.

Towards a multiconfigurational method of increments

B. Paulus, Ö. Legeza, G. Barcza, 2018 .

An Isolated Molecule of Iron(II) Phthalocyanin Exhibits Quintet Ground-State: A Nexus between Theory and Experiment.

J. Pittner, D. Nachtigallová, J. Tuček, 2018, Chemistry.

QC-DMRG study of the ionic-neutral curve crossing of LiF

B. A. Hess, Ö. Legeza, J. Röder, 2002, cond-mat/0208187.

Density‐matrix spectra for integrable models

I. Peschel, M. Kaulke, Ö. Legeza, 1998, cond-mat/9810174.

Simulating Lindbladian evolution with non-Abelian symmetries: Ballistic front propagation in the SU(2) Hubbard model with a localized loss

T. Prosen, Ö. Legeza, M. A. Werner, 2021, Physical Review B.

Fluctuations in subsystems of the zero-temperature XX chain: emergence of an effective temperature

Z. Rácz, V. Eisler, Ö. Legeza, 2006, cond-mat/0609682.

Excitation spectra of fully correlated donor-acceptor complexes by density matrix renormalisation group

Á. Gali, Gergely Barcza, Ö. Legeza, 2022, Molecular Physics.

Toward DMRG-tailored coupled cluster method in the 4c-relativistic domain.

J. Pittner, L. Veis, Ö. Legeza, 2020, The Journal of chemical physics.

Unravelling the quantum-entanglement effect of noble gas coordination on the spin ground state of CUO.

M. Reiher, Ö. Legeza, Katharina Boguslawski, 2013, Physical chemistry chemical physics : PCCP.

On the multi-reference nature of plutonium oxides: PuO22+, PuO2, PuO3 and PuO2(OH)2.

P. Ayers, Ö. Legeza, Katharina Boguslawski, 2016, Physical chemistry chemical physics : PCCP.

Applications of Quantum Information in the Density-Matrix Renormalization Group

J. Sólyom, Örs Legeza, Ö. Legeza, 2008 .

Assessing the Accuracy of Tailored Coupled Cluster Methods Corrected by Electronic Wave Functions of Polynomial Cost.

Ö. Legeza, Katharina Boguslawski, Aleksandra Leszczyk, 2021, Journal of chemical theory and computation.

Quantum entanglement in carbon-carbon, carbon-phosphorus and silicon-silicon bonds.

M. Reiher, Ö. Legeza, Katharina Boguslawski, 2014, Physical chemistry chemical physics : PCCP.

Dissecting the bond-formation process of d10-metal–ethene complexes with multireference approaches

P. Ayers, Gergely Barcza, Ö. Legeza, 2015, Theoretical Chemistry Accounts.

Entanglement and seniority

P. Salamon, Ö. Legeza, A. Kruppa, 2021, Physical Review C.

How creating one additional well can generate Bose-Einstein condensation

C. Schilling, Ö. Legeza, R. Schilling, 2021, Communications Physics.

How creating one additional well can generate Bose-Einstein condensation

C. Schilling, Ö. Legeza, R. Schilling, 2021 .

Entanglement and correlation in two-nucleon systems

P. Salamon, Ö. Legeza, A. Kruppa, 2020, 2006.07448.

Imaging the electronic Wigner crystal in one dimension

Ö. Legeza, S. Ilani, G. Zaránd, 2018, Science.

Elucidating cation-cation interactions in neptunyl dications using multi-reference ab initio theory.

Ö. Legeza, Katharina Boguslawski, P. Tecmer, 2018, Physical chemistry chemical physics : PCCP.

Symmetric single-impurity Kondo model on a tight-binding chain: Comparison of analytical and numerical ground-state approaches

F. Gebhard, Gergely Barcza, Ö. Legeza, 2019, 1911.08279.

The Intricate Case of Tetramethyleneethane: A Full Configuration Interaction Quantum Monte Carlo Benchmark and Multireference Coupled Cluster Studies.

Ali Alavi, Jiří Pittner, Libor Veis, 2018, Journal of chemical theory and computation.

Orbital Entanglement in Bond-Formation Processes.

Markus Reiher, Örs Legeza, Gergely Barcza, 2013, Journal of chemical theory and computation.

Optimizing the density-matrix renormalization group method using quantum information entropy

J. Sólyom, Ö. Legeza, Ö. Legeza, 2003 .

Numerical and Theoretical Aspects of the DMRG-TCC Method Exemplified by the Nitrogen Dimer

Reinhold Schneider, Simen Kvaal, Andre Laestadius, 2018, Journal of chemical theory and computation.

On the calculation of complete dissociation curves of closed-shell pseudo-onedimensional systems via the complete active space method of increments.

B. Paulus, Ö. Legeza, G. Barcza, 2015, The Journal of chemical physics.

Near-linear Scaling in DMRG-based Tailored Coupled Clusters: An Implementation of DLPNO-TCCSD and DLPNO-TCCSD(T).

Jan Brandejs, Jiří Pittner, Libor Veis, 2019, Journal of chemical theory and computation.

Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions.

Frank Neese, Jiří Pittner, Libor Veis, 2016, The journal of physical chemistry letters.

Accurate ab Initio Spin Densities

M. Reiher, K. H. Marti, Ö. Legeza, 2012, Journal of chemical theory and computation.

DMRG on Top of Plane-Wave Kohn-Sham Orbitals: A Case Study of Defected Boron Nitride.

M. Vörös, Á. Gali, L. Veis, 2020, Journal of chemical theory and computation.

Toward Large-Scale Restricted Active Space Calculations Inspired by the Schmidt Decomposition.

Z. Benedek, Gergely Barcza, O. Legeza, 2021, The journal of physical chemistry. A.

The correlation theory of the chemical bond

Libor Veis, Tibor Szilvási, Örs Legeza, 2016, Scientific Reports.

Density‐matrix spectra for integrable models

I. Peschel, M. Kaulke, Ö. Legeza, 1999, Annalen der Physik.

Hückel-Hubbard-Ohno modeling of π-bonds in ethene and ethyne with application to trans-polyacetylene.

F. Gebhard, L. Veis, Gergely Barcza, 2015, Physical chemistry chemical physics : PCCP.

Topologically Protected Correlated End Spin Formation in Carbon Nanotubes.

B. Dóra, J. Asbóth, Ö. Legeza, 2019, Physical review letters.

Ground state of the Fe(ii)-porphyrin model system corresponds to quintet: a DFT and DMRG-based tailored CC study.

J. Pittner, D. Nachtigallová, P. Hobza, 2020, Physical chemistry chemical physics : PCCP.

Ab initio theory of the negatively charged boron vacancy qubit in hexagonal boron nitride

Á. Gali, Gergely Barcza, Ö. Legeza, 2020, npj Computational Materials.

Dynamical Topological Quantum Phase Transitions in Nonintegrable Models.

C. Hubig, U. Schollwöck, Ö. Legeza, 2019, Physical review letters.

Analysis of The Coupled-Cluster Method Tailored by Tensor-Network States in Quantum Chemistry

R. Schneider, Ö. Legeza, F. M. Faulstich, 2018 .

Rigorous treatment of strong electronic correlations in polydiacetylene chains

F. Gebhard, Gergely Barcza, Ö. Legeza, 2013 .

Fermionic Orbital Optimization in Tensor Network States.

J Eisert, J. Eisert, L. Veis, 2015, Physical review letters.

Quantum quench and charge oscillations in the SU(3) Hubbard model: A test of time evolving block decimation with general non-Abelian symmetries

Ö. Legeza, M. A. Werner, C. P. Moca, 2020, 2007.12418.

Exact matrix product state representation and convergence of a fully correlated electronic wavefunction in the infinite-basis limit

Benedikt R. Graswald, G. Friesecke, Ö. Legeza, 2021, Physical Review B.

Highly tunable magneto-optical response from magnesium-vacancy color centers in diamond

Á. Gali, Gergely Barcza, Ö. Legeza, 2021, npj Quantum Information.

Phase separation of superfluids in the chain of four-component ultracold atoms

Ö. Legeza, G. Barcza, J. Sólyom, 2014, 1409.3057.

Fermionic systems for quantum information people

Christian Schilling, Örs Legeza, Zoltán Zimborás, 2020, Journal of Physics A: Mathematical and Theoretical.

Effective dimension reduction with mode transformations: Simulating two-dimensional fermionic condensed matter systems with matrix-product states

J. Eisert, L. Veis, Ö. Legeza, 2019, Physical Review B.

Correction to Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions.

Frank Neese, Jiří Pittner, Libor Veis, 2017, Journal of Physical Chemistry Letters.

Combining the in-medium similarity renormalization group with the density matrix renormalization group: Shell structure and information entropy

S. Knecht, O. Legeza, Ö. Legeza, 2022, Physics Letters B.

Elucidating cation-cation interactions in neptunyl dications using multi-reference ab initio theory.

Ö. Legeza, Katharina Boguslawski, P. Tecmer, 2018, Physical chemistry chemical physics : PCCP.

Combining the in-medium similarity renormalization group with the density matrix renormalization group: Shell structure and information entropy

S. Knecht, Ö. Legeza, A. Schwenk, 2022, Physics Letters B.

Predicting the FCI Energy of Large Systems to Chemical Accuracy from Restricted Active Space Density Matrix Renormalization Group Calculations.

G. Friesecke, Gergely Barcza, O. Legeza, 2022, Journal of chemical theory and computation.

The Intricate Case of Tetramethyleneethane: A Full Configuration Interaction Quantum Monte Carlo Benchmark and Multireference Coupled Cluster Studies.

A. Alavi, J. Pittner, L. Veis, 2018, Journal of chemical theory and computation.

Accurate localization of Kosterlitz-Thouless-type quantum phase transitions for one-dimensional spinless fermions

F. Gebhard, Ö. Legeza, Kevin Bauerbach, 2022, Physical Review B.

Symmetric carbon tetramers forming spin qubits in hexagonal boron nitride

Z. Benedek, Gergely Barcza, Ö. Legeza, 2023, npj Computational Materials.

Hilbert space multireference coupled cluster tailored by matrix product states.

J. Pittner, L. Veis, O. Legeza, 2023, The Journal of chemical physics.