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Factorizing the wave function of large quantum systems

Publications

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, 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, 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, 17/3, 2021, Page(s) 1390-1407, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.0c01093

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, 380, 2022, Page(s) 20200383, ISSN 2053-9223
Publisher: The Royal Society
DOI: 10.1098/rsta.2020.0383

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, 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

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

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, 125, 2020, Page(s) 256402, ISSN 1092-0145
Publisher: 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

Author(s): A. Sanna, C. Pellegrini, E. K. U. Gross
Published in: Physical Review Letters, 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

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

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, 101/14, 2020, ISSN 2469-9950
Publisher: American Physical Society
DOI: 10.1103/physrevb.101.144401

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