Factorizing the wave function of large quantum systems

Informazioni relative al progetto

FACT

ID dell’accordo di sovvenzione: 788890

DOI 10.3030/788890

Data della firma CE 10 Agosto 2018

Data di avvio 1 Settembre 2019

Data di completamento 31 Agosto 2025

Finanziato da

• EXCELLENT SCIENCE - European Research Council (ERC)

Costo totale € 2 443 932,00

Contributo UE € 2 443 932,00

Coordinato da

THE HEBREW UNIVERSITY OF JERUSALEM
Israel

Pubblicazioni

Peer reviewed articles (15)

Coupled Bogoliubov equations for electrons and phonons

Autori: Chung-Yu Wang, S. Sharma, T. Müller, E. K. U. Gross, J. K. Dewhurst
Pubblicato in: Physical Review B, 2022, ISSN 2469-9969
Editore: American Physical Society
DOI: 10.1103/physrevb.105.174509

Exact factorization-based density functional theory of electron-phonon systems, R Requist, CR Proetto, EKU Gross, Physical Review B 99, 165136 (2019)

Autori: R. Requist, E.K.U. Gross
Pubblicato in: Physical Review B, Numero 99, 2019, Pagina/e 165136, ISSN 1098-0121
Editore: American Physical Society
DOI: 10.1103/physrevb.99.165136

Many-body Green's function theory of electrons and nuclei beyond the Born-Oppenheimer approximation

Autori: Ville J. Härkönen, Robert van Leeuwen, E. K. U. Gross
Pubblicato in: Physical Review B, Numero 101/23, 2020, ISSN 1098-0121
Editore: American Physical Society
DOI: 10.1103/physrevb.101.235153

From Kohn–Sham to Many-Electron Energies via Step Structures in the Exchange-Correlation Potential

Autori: Eli Kraisler, M. J. P. Hodgson, E. K. U. Gross
Pubblicato in: Journal of Chemical Theory and Computation, Numero 17/3, 2021, Pagina/e 1390-1407, ISSN 1549-9618
Editore: American Chemical Society
DOI: 10.1021/acs.jctc.0c01093

Geometric energy transfer in two-component systems

Autori: Ryan Requist, Chen Li, Eberhard K. U. Gross
Pubblicato in: Philosophical Transactions of the Royal Society A, Numero 380, 2022, Pagina/e 20200383, ISSN 2053-9223
Editore: The Royal Society
DOI: 10.1098/rsta.2020.0383

Ab-initio theory of plasmonic superconductivity within the Eliashberg and density-functional formalisms

Autori: A. Davydov, A. Sanna, C. Pellegrini, J. K. Dewhurst, S. Sharma, E. K. U. Gross
Pubblicato in: Physical Review B, Numero 102, 2020, Pagina/e 214508, ISSN 1098-0121
Editore: American Physical Society
DOI: 10.1103/physrevb.102.214508

Fock-Space Embedding Theory: Application to Strongly Correlated Topological Phases

Autori: Requist, R.; Gross, E. K. U.
Pubblicato in: Physical Review Letters, 2021, ISSN 0031-9007
Editore: American Physical Society
DOI: 10.1103/PhysRevLett.127.116401

Ultrafast dynamics with the exact factorization

Autori: F. Agostini, E. K. U. Gross
Pubblicato in: European Physical Journal B, 2021, ISSN 1434-6028
Editore: Springer Verlag
DOI: 10.1140/epjb/s10051-021-00171-2

Energy, Momentum, and Angular Momentum Transfer between Electrons and Nuclei

Autori: Li, C.; Requist, R.; Gross, E. K. U.
Pubblicato in: Physial Review Letters, 2022, ISSN 0031-9007
Editore: American Physical Society
DOI: 10.1103/PhysRevLett.128.113001

Extending solid-state calculations to ultra-long-range length scales

Autori: Tristan Müller, Sangeeta Sharma, E. K. U. Gross, J. K. Dewhurst
Pubblicato in: Physical Review Letters, Numero 125, 2020, Pagina/e 256402, ISSN 1092-0145
Editore: American Physical Society
DOI: 10.1103/physrevlett.125.256402

Combining Eliashberg Theory with Density Functional Theory for the Accurate Prediction of Superconducting Transition Temperatures and Gap Functions

Autori: A. Sanna, C. Pellegrini, E. K. U. Gross
Pubblicato in: Physical Review Letters, Numero 125/5, 2020, ISSN 0031-9007
Editore: American Physical Society
DOI: 10.1103/physrevlett.125.057001

Extending the predictive power of DFT for superconductors: Towards nonadiabatic electron-phonon coupling

Autori: C. Pellegrini, A. Sanna, R. Requist, E. K. U. Gross
Pubblicato in: Journal of Physics: Condensed Matter, 2022, ISSN 0953-8984
Editore: Institute of Physics Publishing
DOI: 10.1088/1361-648x/ac2864

Real-space anisotropy of the superconducting gap in the charge-density wave material 2H-NbSe2

Autori: Antonio Sanna, Camilla Pellegrini, Eva Liebhaber, Kai Rossnagel, Katharina J. Franke, E. K. U. Gross
Pubblicato in: npj Quantum Materials, 2022, ISSN 2397-4648
Editore: Nature Publishing Group
DOI: 10.1038/s41535-021-00412-8

Quantum covariant derivative: a tool for deriving adiabatic perturbation theory to all orders

Autori: Ryan Requist
Pubblicato in: Journal of Physics A: Math Theor, Numero 56, 2023, Pagina/e 465301, ISSN 1751-8113
Editore: Institute of Physics Publishing
DOI: 10.1088/1751-8121/ad0349

Density functional theory of magnetic dipolar interactions

Autori: Camilla Pellegrini, Tristan Müller, John K. Dewhurst, Sangeeta Sharma, Antonio Sanna, Eberhard K. U. Gross
Pubblicato in: Physical Review B, Numero 101/14, 2020, ISSN 2469-9950
Editore: American Physical Society
DOI: 10.1103/physrevb.101.144401

Book chapters (1)

Quantum Chemistry and Dynamics of Excited States - Methods and Applications

Autori: F. Agostini, E. K. U. Gross
Pubblicato in: Quantum Chemistry and Dynamics of Excited States: Methods and Applications, eds. L Gonzalez and R Lindh, 2020, ISBN 9781119417774
Editore: John Wiley & Sons LTD
DOI: 10.1002/9781119417774.ch17