Factorizing the wave function of large quantum systems

Project Information

FACT

Grant agreement ID: 788890

DOI

10.3030/788890

Project closed

EC signature date 10 August 2018

Start date 1 September 2019

End date 31 August 2025

Funded under

• EXCELLENT SCIENCE - European Research Council (ERC)

Total cost

€ 2 443 932,00

EU contribution

€ 2 443 932,00

Coordinated by

THE HEBREW UNIVERSITY OF JERUSALEM
Israel

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Publications

Peer reviewed articles (22)

Coupled Bogoliubov equations for electrons and phonons

Author(s): Chung-Yu Wang, S. Sharma, T. Müller, E. K. U. Gross, J. K. Dewhurst
Published in: Physical Review B, 2022, ISSN 2469-9969
Publisher: 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)

Author(s): R. Requist, E.K.U. Gross
Published in: Physical Review B, Issue 99, 2019, Page(s) 165136, ISSN 1098-0121
Publisher: American Physical Society
DOI: 10.1103/physrevb.99.165136

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

Author(s): Ville J. Härkönen, Robert van Leeuwen, E. K. U. Gross
Published in: Physical Review B, Issue 101/23, 2020, ISSN 1098-0121
Publisher: American Physical Society
DOI: 10.1103/physrevb.101.235153

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

Author(s): Eli Kraisler, M. J. P. Hodgson, E. K. U. Gross
Published in: Journal of Chemical Theory and Computation, Issue 17/3, 2021, Page(s) 1390-1407, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.0c01093

Electronic decoherence along a single nuclear trajectory

Author(s): Matisse Wei-Yuan Tu, E. K. U. Gross
Published in: Physical Review Research, Issue 7, 2025, ISSN 2643-1564
Publisher: American Physical Society (APS)
DOI: 10.1103/nnkr-phm5

Geometric energy transfer in two-component systems

Author(s): Ryan Requist, Chen Li, Eberhard K. U. Gross
Published in: Philosophical Transactions of the Royal Society A, Issue 380, 2022, Page(s) 20200383, ISSN 2053-9223
Publisher: The Royal Society
DOI: 10.1098/rsta.2020.0383

Ultrafast spintronics with geometric effects in nonadiabatic wave-packet dynamics

Author(s): Matisse Wei-Yuan Tu, Li-Sheng Lin, Chung-Yu Wang, Jyh-Pin Chou, Sin-Yi Wei, Chien-Ming Tu, Chia-Nung Kuo, Chin Shan Lue, Chih-Wei Luo
Published in: Physical Review B, Issue 112, 2025, ISSN 2469-9950
Publisher: American Physical Society (APS)
DOI: 10.1103/xpp2-v9fj

Exchange-Correlation Energy from Green's Functions

Author(s): Crisostomo, Steven; Gross, Eberhard; burke, kieron
Published in: Physical Review Letters, Issue 133, 2024, Page(s) 086401, ISSN 1079-7114
Publisher: American Physical Society
DOI: 10.1103/physrevlett.133.086401

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

Author(s): A. Davydov, A. Sanna, C. Pellegrini, J. K. Dewhurst, S. Sharma, E. K. U. Gross
Published in: Physical Review B, Issue 102, 2020, Page(s) 214508, ISSN 1098-0121
Publisher: American Physical Society
DOI: 10.1103/physrevb.102.214508

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

Author(s): Requist, R.; Gross, E. K. U.
Published in: Physical Review Letters, 2021, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/PhysRevLett.127.116401

Ultrafast dynamics with the exact factorization

Author(s): F. Agostini, E. K. U. Gross
Published in: European Physical Journal B, 2021, ISSN 1434-6028
Publisher: Springer Verlag
DOI: 10.1140/epjb/s10051-021-00171-2

The 2021 Room-Temperature Superconductivity Roadmap

Author(s): Lilia, B.; Hennig, R.; Hirschfeld, P.; Profeta, G.; Sanna, A.; Zurek, E.; Pickett, W. E.; Amsler, M.; Dias, R.; Eremets, M. I.; Heil, C.; Hemley, R. J.; Liu, H.; Ma, Y.; Pierleoni, C.; Kolmogorov, A. N.; Rybin, N.; Novoselov, D.; Anisimov, V.; Oganov, A. R.; Pickard, C. J.; Bi, T.; Arita, R.; Errea, I.; Pellegrini, C.; Requist, R.; Gross, E. K. U.; Margine, E. R.; Xie, S. R.; Quan, Y.; Hire, A.; F
Published in: Journal of Physics Condensed Matter, Issue 11, 2022, ISSN 1361-648X
Publisher: IOP Publishing

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

Author(s): Li, C.; Requist, R.; Gross, E. K. U.
Published in: Physial Review Letters, 2022, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/PhysRevLett.128.113001

Nonadiabaticity from first principles: Exact-factorization approach for solids

Author(s): Galit Cohen, Rachel Steinitz-Eliyahu, E. K. U. Gross, Sivan Refaely-Abramson, Ryan Requist
Published in: Physical Review B, Issue 112, 2025, ISSN 2469-9950
Publisher: American Physical Society (APS)
DOI: 10.1103/dmpv-zqdh

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

Author(s): Tristan Müller, Sangeeta Sharma, E. K. U. Gross, J. K. Dewhurst
Published in: Physical Review Letters, Issue 125, 2020, Page(s) 256402, ISSN 1092-0145
Publisher: American Physical Society
DOI: 10.1103/physrevlett.125.256402

Viscous Current-Induced Forces

Author(s): Vladimir U. Nazarov, Tchavdar N. Todorov, E. K. U. Gross
Published in: Physical Review Letters, Issue 133, 2025, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/physrevlett.133.026301

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

Author(s): A. Sanna, C. Pellegrini, E. K. U. Gross
Published in: Physical Review Letters, Issue 125/5, 2020, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/physrevlett.125.057001

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

Author(s): C. Pellegrini, A. Sanna, R. Requist, E. K. U. Gross
Published in: Journal of Physics: Condensed Matter, 2022, ISSN 0953-8984
Publisher: Institute of Physics Publishing
DOI: 10.1088/1361-648x/ac2864

Dynamical Born effective charges

Author(s): C.-Yu Wang, S. Sharma, E. K. U. Gross, J. K. Dewhurst
Published in: Physical Review B, Issue 106, 2022, ISSN 2469-9950
Publisher: American Physical Society (APS)
DOI: 10.1103/physrevb.106.l180303

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

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

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

Author(s): Ryan Requist
Published in: Journal of Physics A: Math Theor, Issue 56, 2023, Page(s) 465301, ISSN 1751-8113
Publisher: Institute of Physics Publishing
DOI: 10.1088/1751-8121/ad0349

Density functional theory of magnetic dipolar interactions

Author(s): Camilla Pellegrini, Tristan Müller, John K. Dewhurst, Sangeeta Sharma, Antonio Sanna, Eberhard K. U. Gross
Published in: Physical Review B, Issue 101/14, 2020, ISSN 2469-9950
Publisher: American Physical Society
DOI: 10.1103/physrevb.101.144401

Other (7)

Magnetism-Enhanced Strong Electron-Phonon Coupling in Infinite-Layer Nickelate

Author(s): Ruiqi Zhang, Yanyong Wang, Manuel Engel, Christopher Lane, Henrique Miranda, Lin Hou, Sugata Chowdhury, Bahadur Singh, Bernardo Barbiellini, Jian-Xin Zhu, Robert S. Markiewicz, E. K. U. Gross, Georg Kresse, Arun Bansil, Jianwei Sun
Published in: ArXiv, 2025
Publisher: openAIRE
DOI: 10.48550/arxiv.2504.13025

Gauge- and coordinate-invariant equations for two-component systems

Author(s): Ryan Requist
Published in: ArXiv, 2022
Publisher: openAIRE
DOI: 10.48550/arxiv.2207.02198

Non-adiabatic perturbation theory of the exact factorisation

Author(s): Matisse Wei-Yuan Tu, E. K. U. Gross
Published in: ArXiv, 2025
Publisher: openAIRE
DOI: 10.48550/arxiv.2511.02004

Beyond-Born-Oppenheimer time-dependent density-functional theory

Author(s): Chen Li, Ryan Requist, E. K. U. Gross
Published in: ArXiv, 2025
Publisher: openAIRE
DOI: 10.48550/arxiv.2511.09899

Stopping power of electron liquid for slow quantum projectiles

Author(s): Vladimir U. Nazarov, E. K. U. Gross
Published in: ArXiv, 2025
Publisher: openAIRE
DOI: 10.48550/arxiv.2510.26222

Viscous AC current-driven nanomotors

Author(s): Vladimir U. Nazarov, Tchavdar N. Todorov, E. K. U. Gross
Published in: ArXiv, 2025
Publisher: openAIRE
DOI: 10.48550/arxiv.2510.24291

Exact-factorization framework for electron-nuclear dynamics in electromagnetic fields

Author(s): Vladimir U. Nazarov, E. K. U. Gross
Published in: ArXiv, 2025
Publisher: openAIRE
DOI: 10.48550/arxiv.2511.08268

Book chapters (1)

Quantum Chemistry and Dynamics of Excited States - Methods and Applications

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