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Mathematics of Density Functional Theory

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

Existence of minimizers in generalized Gross-Pitaevskii theory with the Lee-Huang-Yang correction

Author(s): Triay, Arnaud
Published in: https://hal.archives-ouvertes.fr/hal-02104829, Issue 2, 2019
Publisher: Arxiv

Existence of minimizers in generalized Gross-Pitaevskii theory with the Lee-Huang-Yang correction (opens in new window)

Author(s): Triay, Arnaud
Published in: ArXiV preprint, 2019
Publisher: ArXiV
DOI: 10.48550/arxiv.1904.10672

Analysis of the one dimensional inhomogeneous Jellium model with the Birkhoff-Hopf Theorem

Author(s): Ducatez, Raphael
Published in: 2018, Issue 1, 2018
Publisher: arxiv

Universal Functionals in Density Functional Theory (opens in new window)

Author(s): Lewin, Mathieu; Lieb, Elliott H.; Seiringer, Robert
Published in: ArXiV preprint, 2019
Publisher: ArXiV
DOI: 10.48550/arxiv.1912.10424

Differentiability of the van der Waals interaction between two atoms (opens in new window)

Author(s): Anapolitanos, Ioannis; Lewin, Mathieu; Roth, Matthias
Published in: ArXiV preprint, 2019
Publisher: ArXiV
DOI: 10.48550/arxiv.1902.06683

Grand-Canonical Optimal Transport (opens in new window)

Author(s): Simone Di Marino, Mathieu Lewin, Luca Nenna
Published in: ArXiV preprint, 2022
Publisher: ArXiV
DOI: 10.48550/arxiv.2201.06859

Analysis of the one dimensional inhomogeneous Jellium model with the Birkhoff-Hopf Theorem (opens in new window)

Author(s): Ducatez, Raphael
Published in: ArXiV preprint, Issue 1, 2018
Publisher: ArXiV
DOI: 10.48550/arxiv.1806.07681

Derivation of the time-dependent Gross-Pitaevskii equation for the dipolar gases (opens in new window)

Author(s): Triay, Arnaud
Published in: ArXiV preprint, 2019
Publisher: ArXiV
DOI: 10.48550/arxiv.1904.04000

Dirac-Coulomb operators with infinite mass boundary conditions in sectors (opens in new window)

Author(s): Biagio Cassano; Fabio Pizzichillo; Matteo Gallone
Published in: J. Math. Phys., Issue 9, 2022, ISSN 0022-2488
Publisher: American Institute of Physics
DOI: 10.1063/5.0089526

Dirac–Coulomb operators with general charge distribution I. Distinguished extension and min-max formulas (opens in new window)

Author(s): Esteban, Maria J.; Lewin, Mathieu; Séré, Eric
Published in: Annales Henri Lebesgue, Issue 4, 2021, ISSN 2644-9463
Publisher: None
DOI: 10.5802/ahl.106

Boundary triples for the Dirac operator with Coulomb-type spherically symmetric perturbations (opens in new window)

Author(s): Biagio Cassano, Fabio Pizzichillo
Published in: Journal of Mathematical Physics, Issue 60/4, 2019, Page(s) 041502, ISSN 0022-2488
Publisher: American Institute of Physics
DOI: 10.1063/1.5063986

Improved Lieb-Oxford bound on the indirect and exchange energies (opens in new window)

Author(s): Mathieu Lewin, Elliott H. Lieb, and Robert Seiringer
Published in: Lett. Math. Phys., Issue 112, 2022, Page(s) 92, ISSN 1573-0530
Publisher: springer
DOI: 10.1007/s11005-022-01584-5

Dirac–Coulomb operators with general charge distribution II. The lowest eigenvalue (opens in new window)

Author(s): Maria J. Esteban; Mathieu Lewin; Eric Séré
Published in: https://londmathsoc.onlinelibrary.wiley.com/doi/epdf/10.1112/plms.12396, Issue 3, 2021, ISSN 1460-244X
Publisher: None
DOI: 10.1112/plms.12396

The reduced Hartree-Fock model with self-generated magnetic fields (opens in new window)

Author(s): David Gontier, Salma Lahbabi
Published in: Journal of Mathematical Physics, Issue 60/8, 2019, Page(s) 081902, ISSN 0022-2488
Publisher: American Institute of Physics
DOI: 10.1063/1.5100919

Classical field theory limit of many-body quantum Gibbs states in 2D and 3D (opens in new window)

Author(s): Mathieu Lewin, Phan Thành Nam, Nicolas Rougerie
Published in: Inventiones mathematicae, 2021, ISSN 0020-9910
Publisher: Springer Verlag
DOI: 10.1007/s00222-020-01010-4

Building Kohn-Sham potentials for ground and excited states (opens in new window)

Author(s): Louis Garrigue
Published in: Archive for Rational Mechanics and Analysis, Issue 245, 2022, Page(s) 949-1003, ISSN 0003-9527
Publisher: Springer Verlag
DOI: 10.48550/arxiv.2101.01127

Convergence analysis of adaptive DIIS algorithms with application to electronic ground state calculations (opens in new window)

Author(s): Maxime Chupin; Mi-Song Dupuy; Guillaume Legendre; Eric Séré
Published in: 2020, Issue 4, 2020, ISSN 2804-7214
Publisher: EDP Sciences
DOI: 10.1051/m2an/2021069

The Hartree and Vlasov equations at positive density (opens in new window)

Author(s): Mathieu Lewin, Julien Sabin
Published in: Communications in Partial Differential Equations, Issue 45/12, 2020, Page(s) 1702-1754, ISSN 0360-5302
Publisher: Marcel Dekker Inc.
DOI: 10.1080/03605302.2020.1803355

Some Properties of the Potential-to-Ground State Map in Quantum Mechanics (opens in new window)

Author(s): Louis Garrigue
Published in: Comm Math Phys, Issue 4, 2021, ISSN 0010-3616
Publisher: Springer Verlag
DOI: 10.1007/s00220-021-04140-9

A forward-backward random process for the spectrum of 1D Anderson operators (opens in new window)

Author(s): Raphael Ducatez
Published in: Electronic Communications in Probability, Issue 24/0, 2019, ISSN 1083-589X
Publisher: Institute of Mathematical Statistics
DOI: 10.1214/19-ecp232

Coulomb and Riesz gases: The known and the unknown (opens in new window)

Author(s): Mathieu Lewin
Published in: Journal of Mathematical Physics, Issue 63, 2022, Page(s) pp.061101, ISSN 1089-7658
Publisher: AIP
DOI: 10.1063/5.0086835

Classical Density Functional Theory: Representability and Universal Bounds (opens in new window)

Author(s): Michal Jex, Mathieu Lewin, Peter S. Madsen
Published in: Journal of Statistical Physics, Issue 190, 2023, ISSN 1572-9613
Publisher: Springer
DOI: 10.1007/s10955-023-03086-7

Self-adjointness of two-dimensional Dirac operators on corner domains (opens in new window)

Author(s): Fabio Pizzichillo; Hanne Van Den Bosch
Published in: JSP, Issue 5, 2019, ISSN 1664-039X
Publisher: EMS
DOI: 10.4171/jst/365

The Scott Correction in Dirac–Fock Theory (opens in new window)

Author(s): Søren Fournais, Mathieu Lewin, Arnaud Triay
Published in: Communications in Mathematical Physics, Issue 378/1, 2020, Page(s) 569-600, ISSN 0010-3616
Publisher: Springer Verlag
DOI: 10.1007/s00220-020-03781-6

The diatomic Hartree model at dissociation (opens in new window)

Author(s): Cazalis, Jean
Published in: Nonlinearity, Issue 35, 2022, Page(s) 2633, ISSN 1361-6544
Publisher: IOP
DOI: 10.1088/1361-6544/ac665a

A remark on the attainable set of the Schrödinger equation (opens in new window)

Author(s): Jonas Lampart
Published in: Evolution Equations & Control Theory, Issue 0/0, 2019, Page(s) 0-0, ISSN 2163-2480
Publisher: AIMS
DOI: 10.3934/eect.2020075

Unique Continuation for Many-Body Schrödinger Operators and the Hohenberg-Kohn Theorem (opens in new window)

Author(s): Louis Garrigue
Published in: Mathematical Physics, Analysis and Geometry, Issue 21/3, 2018, ISSN 1385-0172
Publisher: Kluwer Academic Publishers
DOI: 10.1007/s11040-018-9287-z

Lower bound on the Hartree-Fock energy of the electron gas (opens in new window)

Author(s): David Gontier, Christian Hainzl, Mathieu Lewin
Published in: Physical Review A, Issue 99/5, 2019, ISSN 2469-9926
Publisher: APS
DOI: 10.1103/physreva.99.052501

Existence of Hartree–Fock excited states for atoms and molecules (opens in new window)

Author(s): Mathieu Lewin
Published in: Letters in Mathematical Physics, 2018, ISSN 0377-9017
Publisher: Kluwer Academic Publishers
DOI: 10.1007/s11005-017-1019-y

Domains for Dirac–Coulomb min-max levels (opens in new window)

Author(s): Maria Esteban, Mathieu Lewin, Éric Séré
Published in: Revista Matemática Iberoamericana, 2019, ISSN 0213-2230
Publisher: Universidad Autonoma de Madrid
DOI: 10.4171/rmi/1074

Semi-classical limit of the Levy–Lieb functional in Density Functional Theory (opens in new window)

Author(s): Mathieu Lewin
Published in: Comptes Rendus Mathematique, Issue 356/4, 2018, Page(s) 449-455, ISSN 1631-073X
Publisher: Elsevier Masson
DOI: 10.1016/j.crma.2018.03.002

The local density approximation in density functional theory (opens in new window)

Author(s): Mathieu Lewin, Elliott H. Lieb, Robert Seiringer
Published in: Pure and Applied Analysis, Issue 2/1, 2020, Page(s) 35-73, ISSN 2578-5885
Publisher: Mathematical Sciences Publishers
DOI: 10.2140/paa.2020.2.35

Statistical mechanics of the uniform electron gas (opens in new window)

Author(s): Mathieu Lewin, Elliott H. Lieb, Robert Seiringer
Published in: Journal de l’École polytechnique — Mathématiques, Issue 5, 2018, Page(s) 79-116, ISSN 2270-518X
Publisher: Ecole Polytechnique
DOI: 10.5802/jep.64

Derivation of the Dipolar Gross--Pitaevskii Energy (opens in new window)

Author(s): Arnaud Triay
Published in: SIAM Journal on Mathematical Analysis, Issue 50/1, 2018, Page(s) 33-63, ISSN 0036-1410
Publisher: Society for Industrial and Applied Mathematics
DOI: 10.1137/17m112378x

Compactness of Molecular Reaction Paths in Quantum Mechanics (opens in new window)

Author(s): Ioannis Anapolitanos, Mathieu Lewin
Published in: Archive for Rational Mechanics and Analysis, Issue 236/2, 2020, Page(s) 505-576, ISSN 0003-9527
Publisher: Springer Verlag
DOI: 10.1007/s00205-019-01475-5

Spin Symmetry Breaking in the Translation-Invariant Hartree--Fock Electron Gas (opens in new window)

Author(s): David Gontier, Mathieu Lewin
Published in: SIAM Journal on Mathematical Analysis, Issue 51/4, 2019, Page(s) 3388-3423, ISSN 0036-1410
Publisher: Society for Industrial and Applied Mathematics
DOI: 10.1137/19m1243142

Semi-classical limit of large fermionic systems at positive temperature (opens in new window)

Author(s): Mathieu Lewin, Peter S. Madsen, Arnaud Triay
Published in: Journal of Mathematical Physics, Issue 60/9, 2019, Page(s) 091901, ISSN 0022-2488
Publisher: American Institute of Physics
DOI: 10.1063/1.5094397

Hohenberg–Kohn Theorems for Interactions, Spin and Temperature (opens in new window)

Author(s): Louis Garrigue
Published in: Journal of Statistical Physics, Issue 177/3, 2019, Page(s) 415-437, ISSN 0022-4715
Publisher: Kluwer Academic/Plenum Publishers
DOI: 10.1007/s10955-019-02365-6

Derivation of renormalized Gibbs measures from equilibrium many-body quantum Bose gases (opens in new window)

Author(s): Mathieu Lewin, Phan Thành Nam, Nicolas Rougerie
Published in: Journal of Mathematical Physics, Issue 60/6, 2019, Page(s) 061901, ISSN 0022-2488
Publisher: American Institute of Physics
DOI: 10.1063/1.5094331

The Nonlinear Schrödinger Equation for Orthonormal Functions II: Application to Lieb–Thirring Inequalities (opens in new window)

Author(s): Rupert L. Frank; Rupert L. Frank; David Gontier; Mathieu Lewin
Published in: CMP, Issue 9, 2019, ISSN 1432-0916
Publisher: Springer
DOI: 10.1007/s00220-021-04039-5

The Nonlinear Schrödinger Equation for Orthonormal Functions: Existence of Ground States (opens in new window)

Author(s): David Gontier; Mathieu Lewin; Faizan Q. Nazar
Published in: ISSN: 0003-9527, Issue 2, 2019, ISSN 0003-9527
Publisher: Springer Verlag
DOI: 10.1007/s00205-021-01634-7

DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science (opens in new window)

Author(s): Andrew M. Teale; Trygve Helgaker; Andreas Savin; Carlo Adamo; Bálint Aradi; Alexei V. Arbuznikov; Paul W. Ayers; Evert Jan Baerends; Vincenzo Barone; Patrizia Calaminici; Eric Cancès; Emily A. Carter; Pratim Kumar Chattaraj; Henry Chermette; Ilaria Ciofini; T. Daniel Crawford; Frank De Proft; John F. Dobson; Claudia Draxl; Thomas Frauenheim; Emmanuel Fromager; Patricio Fuentealba; Laura Gagliard
Published in: Physical Chemistry Chemical Physics, Issue 15, 2022, ISSN 1463-9084
Publisher: none
DOI: 10.1039/d2cp02827a

The double-power nonlinear Schrödinger equation and its generalizations: uniqueness, non-degeneracy and applications (opens in new window)

Author(s): Mathieu Lewin, Simona Rota Nodari
Published in: Calculus of Variations and Partial Differential Equations, Issue 59/6, 2020, ISSN 0944-2669
Publisher: Springer Verlag
DOI: 10.1007/s00526-020-01863-w

Floating Wigner crystal with no boundary charge fluctuations (opens in new window)

Author(s): Mathieu Lewin, Elliott H. Lieb, Robert Seiringer
Published in: Physical Review B, Issue 100/3, 2019, ISSN 2469-9950
Publisher: APS
DOI: 10.1103/physrevb.100.035127

Fast Diffusion leads to partial mass concentration in Keller-Segel type stationary solutions (opens in new window)

Author(s): Carrillo, José A.; Delgadino, Matias G.; Frank, Rupert L.; Lewin, Mathieu
Published in: EISSN: 0218-2025, Issue 11, 2022, ISSN 0218-2025
Publisher: World Scientific Publishing Co
DOI: 10.1142/s021820252250018x

Optimizers for the finite-rank Lieb-Thirring inequality (opens in new window)

Author(s): Frank, Rupert L.; Gontier, David; Lewin, Mathieu
Published in: Amer. J. Math., 2023, ISSN 1080-6377
Publisher: Johns Hopkins Univ. Press
DOI: 10.48550/arxiv.2109.05984

"Unique continuation for many-body Schr\""odinger operators and the Hohenberg-Kohn theorem. II. The Pauli Hamiltonian" (opens in new window)

Author(s): Garrigue, Louis
Published in: Doc. Math., Issue 25, 2020, Page(s) 869-898, ISSN 1431-0635
Publisher: Deutsche Mathematiker-Vereinigung
DOI: 10.25537/dm.2020v25.869-898

The periodic Lieb-Thirring inequality (opens in new window)

Author(s): Frank, Rupert L.; Gontier, David; Lewin, Mathieu
Published in: Partial Differential Equations, Spectral Theory, and Mathematical Physics. The Ari Laptev Anniversary Volume, Issue 4, 2021
Publisher: EMS Press
DOI: 10.4171/ecr/18

Blow-Up Profile of Rotating 2D Focusing Bose Gases (opens in new window)

Author(s): Mathieu Lewin, Phan Thành Nam, Nicolas Rougerie
Published in: Macroscopic Limits of Quantum Systems - Munich, Germany, March 30 - April 1, 2017, Issue 270, 2018, Page(s) 145-170, ISBN 978-3-030-01601-2
Publisher: Springer International Publishing
DOI: 10.1007/978-3-030-01602-9_7

Dirac operators and shell interactions: a survey (opens in new window)

Author(s): Thomas Ourmières-Bonafos; Fabio Pizzichillo
Published in: https://hal.archives-ouvertes.fr/hal-02016328, Issue 4, 2020, ISBN 978-3-030-60453-0
Publisher: 2020
DOI: 10.1007/978-3-030-60453-0_5

The interacting 2D Bose gas and nonlinear Gibbs measures

Author(s): Lewin , Mathieu; Nam , Phan Thành; Rougerie , Nicolas
Published in: Oberwolfach Reports, 2018
Publisher: EMS

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