Norwegian version
Andre Laestadius

Andre Laestadius

About

Fields of study

Academic disciplines

Applied mathematics

Subject areas

Density functional theory

Research groups

Research projects

  • REGAL

    The project researches Moreau-Yosida regularization in density-functional theory (DFT). Of particular interest is Kohn-Sham-DFT that uses one-particle orbitals to represent the one-body density.

Scientific publications

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.

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 (2023). Coupled-Cluster theory revisited: Part I: Discretization. 25 p. ESAIM: Mathematical Modelling and Numerical Analysis (ESAIM: M2AN). Vol. 57.
https://doi.org/10.1051/m2an/2022094

Csirik, Mihaly Andras ; Laestadius, Andre (2023). Coupled-Cluster theory revisited: Part II: Analysis of the single-reference Coupled-Cluster equations. 38 p. ESAIM: Mathematical Modelling and Numerical Analysis (ESAIM: M2AN). Vol. 57.
https://doi.org/10.1051/m2an/2022099

Penz, Markus; Csirik, Mihaly Andras ; Laestadius, Andre (2023). Density-potential inversion from Moreau-Yosida regularization. Electronic Structure. Vol. 5.
https://doi.org/10.1088/2516-1075/acc626

Penz, Markus; Tellgren, Erik Ingemar; Csirik, Mihaly Andras ; Ruggenthaler, Michael; Laestadius, Andre (2023). The Structure of the Density-Potential Mapping. Part II: Including Magnetic Fields. ACS Physical Chemistry Au.
https://doi.org/10.1021/acsphyschemau.3c00006

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

Faulstich, Fabian M.; Laestadius, Andre (2023). Homotopy continuation methods for coupled-cluster theory in quantum chemistry. 9 p. 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. 14 p. Journal of Physical Chemistry A. Vol. 127.
https://doi.org/10.1021/acs.jpca.3c01575

Teale, Andrew Michael; Helgaker, Trygve; Savin, Andreas; Adamo, Carlo; Aradi, Balint; Arbuznikov, Alexei V.; Ayers, Paul W.; Baerends, Evert Jan; Barone, Vincenzo; Calaminici, Patrizia; Cances, Eric; Carter, Emily A.; Chattaraj, Pratim Kumar; Chermette, Henry; Ciofini, Ilaria; Crawford, T. Daniel; de Proft, Frank; Dobson, John F.; Draxl, Claudia; Frauenheim, Thomas; Fromager, Emmanuel; Fuentealba, Patricio; Gagliardi, Laura; Galli, Giulia; Gao, Jaili; Geerlings, Paul; Gidopoulos, Nikitas I.; Gill, Peter M. W.; Gori-Giorgi, Paola; Görling, Andreas; Gould, Tim; Grimme, Stefan; Gritsenko, Oleg; Jensen, Hans Jørgen Aagaard; Johnson, Erin R.; Jones, Robert O.; Kaupp, Martin; Köster, Andreas M.; Kronik, Leeor; Krylov, Anna I.; Kvaal, Simen; Laestadius, Andre ; Levy, Mel; Lewin, Mathieu; Liu, Shubin; Loos, Pierre-Francois; Maitra, Neepa T.; Neese, Frank; Perdew, John P.; Pernal, Katarzyna; Pernot, Pascal; Piecuch, Piotr; Rebolini, Elisa; Reining, Lucia; Romaniello, Pina; Ruzsinszky, Adrienn; Salahub, Dennis R.; Scheffler, Matthias; Schwerdtfeger, Peter; Staroverov, Viktor N.; Sun, Jianwei; Tellgren, Erik Ingemar; Tozer, David J.; Trickey, Samuel B.; Ullrich, Carsten A.; Vela, Alberto; Vignale, Giovanni; Wesolowski, Tomasz A.; Xu, Xin; Yang, Weitao (2022). DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science. Physical Chemistry, Chemical Physics - PCCP.
https://doi.org/10.1039/d2cp02827a





These publications are obtained from Cristin. The list may be incomplete