DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science AM Teale, T Helgaker, A Savin, C Adamo, B Aradi, AV Arbuznikov, ... Physical chemistry chemical physics 24 (47), 28700-28781, 2022 | 132 | 2022 |
Numerical and theoretical aspects of the DMRG-TCC method exemplified by the nitrogen dimer FM Faulstich, M Máté, A Laestadius, MA Csirik, L Veis, A Antalik, J Brabec, ... Journal of chemical theory and computation 15 (4), 2206-2220, 2019 | 54 | 2019 |
Analysis of the tailored coupled-cluster method in quantum chemistry FM Faulstich, A Laestadius, O Legeza, R Schneider, S Kvaal SIAM Journal on Numerical Analysis 57 (6), 2579-2607, 2019 | 37 | 2019 |
Hohenberg–Kohn theorems in the presence of magnetic field A Laestadius, M Benedicks International Journal of Quantum Chemistry 114 (12), 782-795, 2014 | 28 | 2014 |
Guaranteed convergence of a regularized Kohn-Sham iteration in finite dimensions M Penz, A Laestadius, EI Tellgren, M Ruggenthaler Physical Review Letters 123 (3), 037401, 2019 | 26 | 2019 |
Uniform magnetic fields in density-functional theory EI Tellgren, A Laestadius, T Helgaker, S Kvaal, AM Teale The Journal of chemical physics 148 (2), 2018 | 26 | 2018 |
Analysis of the extended coupled-cluster method in quantum chemistry A Laestadius, S Kvaal SIAM Journal on Numerical Analysis 56 (2), 660-683, 2018 | 22 | 2018 |
The coupled-cluster formalism–a mathematical perspective A Laestadius, FM Faulstich Molecular Physics 117 (17), 2362-2373, 2019 | 19 | 2019 |
Kohn–Sham theory with paramagnetic currents: Compatibility and functional differentiability A Laestadius, EI Tellgren, M Penz, M Ruggenthaler, S Kvaal, T Helgaker Journal of Chemical Theory and Computation 15 (7), 4003-4020, 2019 | 18 | 2019 |
Generalized Kohn–Sham iteration on Banach spaces A Laestadius, M Penz, EI Tellgren, M Ruggenthaler, S Kvaal, T Helgaker The Journal of Chemical Physics 149 (16), 2018 | 18 | 2018 |
Lower semicontinuity of the universal functional in paramagnetic current–density functional theory S Kvaal, A Laestadius, E Tellgren, T Helgaker The Journal of Physical Chemistry Letters 12 (5), 1421-1425, 2021 | 15 | 2021 |
Density functionals in the presence of magnetic field A Laestadius International Journal of Quantum Chemistry 114 (21), 1445-1456, 2014 | 15 | 2014 |
Nonexistence of a Hohenberg-Kohn variational principle in total current-density-functional theory A Laestadius, M Benedicks Physical Review A 91 (3), 032508, 2015 | 14 | 2015 |
Erratum: Guaranteed Convergence of a Regularized Kohn-Sham Iteration in Finite Dimensions [Phys. Rev. Lett. 123, 037401 (2019)] M Penz, A Laestadius, EI Tellgren, M Ruggenthaler, PE Lammert Physical review letters 125 (24), 249902, 2020 | 10 | 2020 |
Density–wave-function mapping in degenerate current-density-functional theory A Laestadius, EI Tellgren Physical Review A 97 (2), 022514, 2018 | 10 | 2018 |
The structure of density-potential mapping. Part I: Standard density-functional theory M Penz, EI Tellgren, MA Csirik, M Ruggenthaler, A Laestadius ACS Physical Chemistry Au 3 (4), 334-347, 2023 | 9 | 2023 |
Coupled-cluster theory revisited-part II: Analysis of the single-reference coupled-cluster equations MA Csirik, A Laestadius ESAIM: Mathematical Modelling and Numerical Analysis 57 (2), 545-583, 2023 | 7 | 2023 |
Coupled-cluster theory revisited-part I: Discretization MA Csirik, A Laestadius ESAIM: Mathematical Modelling and Numerical Analysis 57 (2), 645-670, 2023 | 6 | 2023 |
Kohn–Sham theory in the presence of magnetic field A Laestadius Journal of Mathematical Chemistry 52 (10), 2581-2595, 2014 | 6 | 2014 |
Coupled-cluster theory revisited MA Csirik, A Laestadius | 5 | 2023 |