English version
Andre Laestadius

Andre Laestadius

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Fagfelt

Tetthetsfunksjonal teori

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Publikasjoner og forskningsresultater

Vitenskapelige publikasjoner

Penz, Markus ; Laestadius, Andre (2025). Adaptation of Moreau-Yosida regularization to the modulus of convexity. arXiv.

Herbst, Michael F.; Bakkestuen, Vebjørn Hallberg ; Laestadius, Andre (2025). Kohn-Sham inversion with mathematical guarantees. Physical review B (PRB). Vol. 111.
https://doi.org/10.1103/PhysRevB.111.205143

Bakkestuen, Vebjørn Hallberg ; Falmår, Vegard ; Lotfigolian, Maryam ; Penz, Markus ; Ruggenthaler, Michael; Laestadius, Andre (2025). Quantum-Electrodynamical Density-Functional Theory Exemplified by the Quantum Rabi Model. Journal of Physical Chemistry A. Vol. 129.
https://doi.org/10.1021/acs.jpca.4c07690

Tancogne-Dejean, Nicolas; Penz, Markus; Laestadius, Andre ; Csirik, Mihaly Andras ; Ruggenthaler, Michael; Rubio, Angel (2024). Exchange energies with forces in density-functional theory. Journal of Chemical Physics. Vol. 160.
https://doi.org/10.1063/5.0177346

Csirik, Mihaly Andras ; Laestadius, Andre ; Tellgren, Erik (2024). Thermodynamic limit for the magnetic uniform electron gas and representability of density-current pairs. Journal of Mathematical Physics. Vol. 65.
https://doi.org/10.1063/5.0198786

Laestadius, Andre ; Csirik, Mihaly Andras ; Penz, Markus ; Tancogne-Dejean, Nicolas; Ruggenthaler, Michael; Rubio, Angel; Helgaker, Trygve (2024). Exchange-only virial relation from the adiabatic connection. Journal of Chemical Physics. Vol. 160.
https://doi.org/10.1063/5.0184934

Faulstich, Fabian M.; Laestadius, Andre (2023). Homotopy continuation methods for coupled-cluster theory in quantum chemistry. Molecular Physics.
https://doi.org/10.1080/00268976.2023.2258599

Faulstich, Fabian M.; Kristiansen, Håkon Emil; Csirik, Mihaly Andras ; Kvaal, Simen; Pedersen, Thomas Bondo; Laestadius, Andre (2023). The S-diagnostic - an a posteriori error assessment for single-reference coupled-cluster methods. Journal of Physical Chemistry A. Vol. 127.
https://doi.org/10.1021/acs.jpca.3c01575

Csirik, Mihaly Andras ; Laestadius, Andre (2023). Coupled-Cluster theory revisited: Part I: Discretization. ESAIM: Mathematical Modelling and Numerical Analysis (ESAIM: M2AN). Vol. 57.
https://doi.org/10.1051/m2an/2022094

Penz, Markus; Tellgren, Erik Ingemar; Csirik, Mihaly Andras ; Ruggenthaler, Michael; Laestadius, Andre (2023). The Structure of Density-Potential Mapping. Part I: Standard Density-Functional Theory. ACS Physical Chemistry Au. Vol. 3.
https://doi.org/10.1021/acsphyschemau.2c00069





Publikasjonslisten er hentet ut av Nasjonalt vitenarkiv (NVA). Listen kan være ufullstendig.

Formidling

Laestadius, Andre (2025). Analysis of coupled-cluster theory for ground- and excited states using homotopy. 2nd workshop on excited-state methods. Pierre-Francois Loos, CNRS Toulouse.

Laestadius, Andre ; Penz, Markus; Csirik, Mihaly Andras ; Herbst, Michael F.; Bakkestuen, Vebjørn Hallberg (2025). Using Moreau-Yosida regularization in density-functional theory. Mathematical Methods in Quantum Chemistry. Geneviève Dusson, Michael Herbst, Benjamin Stamm.

Laestadius, Andre (2025). Density-to-potential mapping – using the proximal point of Moreau-Yosida regularization. CECAM flagship workshop. A. Grüneis, F. Hummel, V. Karasiev and S. Trickey.

Laestadius, Andre (2024). Quantum-electrodynamical density-functional theory for the Dicke Hamiltonian. Mathematical and numerical analysis of electronic structure models (MANUEL). University of Stuttgart.

Laestadius, Andre (2024). The use of Moreau-Yosida regularization in density-functional theory. Workshop: Many-body electronic structure calculations for solids. Bernoulli center for fundamental studies (org. by M. Hassan).

Laestadius, Andre (2024). Moreau-Yosida Regularization in Density-Functional Theory. 94th Annual Meeting of the International Association of Applied Mathematics and Mechanics. GAMM.

Laestadius, Andre (2023). Homotopies and Coupled-Cluster Theory. CAS workshop Molecular quantum dynamics. Simen Kvaal, Thomas Bondo Pedersen.

Laestadius, Andre (2023). The unique-continuation property in density-functional theory. IWOTA. University of Helsinki.

Laestadius, Andre (2023). Can we make the exchange energy virial?. TRAINS conference (meeting of Theory and Modelling chapter of the Norwegian Chemical Society). Norwegian Chemical Society.

Laestadius, Andre (2023). Some Recent Mathematical Advances in Coupled-Cluster Theory. Sanibel Symposium. University of Florida.





Publikasjonslisten er hentet ut av Nasjonalt vitenarkiv (NVA). Listen kan være ufullstendig.