Publicaciones Peer reviewed articles (20) Guaranteed convergence for a class of coupled-cluster methods based on Arponen's extended theory Autores: Simen Kvaal, Andre Laestadius, Tilmann Bodenstein Publicado en: Molecular Physics, Edición 118/19-20, 2020, Página(s) e1810349, ISSN 0026-8976 Editor: Taylor & Francis DOI: 10.1080/00268976.2020.1810349 Lower Semicontinuity of the Universal Functional in Paramagnetic Current–Density Functional Theory Autores: Simen Kvaal, Andre Laestadius, Erik Tellgren, Trygve Helgaker Publicado en: The Journal of Physical Chemistry Letters, Edición 12/5, 2021, Página(s) 1421-1425, ISSN 1948-7185 Editor: American Chemical Society DOI: 10.1021/acs.jpclett.0c03422 X-ray and UV Spectra of Glycine within Coupled Cluster Linear Response Theory Autores: Rolf H. Myhre, Sonia Coriani, Henrik Koch Publicado en: The Journal of Physical Chemistry A, Edición 123/45, 2019, Página(s) 9701-9711, ISSN 1089-5639 Editor: American Chemical Society DOI: 10.1021/acs.jpca.9b06590 Benchmarking Density Functional Approximations for Diamagnetic and Paramagnetic Molecules in Nonuniform Magnetic Fields Autores: Sangita Sen, Erik I. Tellgren Publicado en: Journal of Chemical Theory and Computation, Edición 17/3, 2021, Página(s) 1480-1496, ISSN 1549-9618 Editor: American Chemical Society DOI: 10.1021/acs.jctc.0c01222 A state-specific multireference coupled-cluster method based on the bivariational principle Autores: Tilmann Bodenstein, Simen Kvaal Publicado en: The Journal of Chemical Physics, Edición 153/2, 2020, Página(s) 024106, ISSN 0021-9606 Editor: American Institute of Physics DOI: 10.1063/5.0009429 One-dimensional Lieb–Oxford bounds Autores: Andre Laestadius, Fabian M. Faulstich Publicado en: The Journal of Chemical Physics, Edición 152/23, 2020, Página(s) 234112, ISSN 0021-9606 Editor: American Institute of Physics DOI: 10.1063/5.0009419 Numerical stability of time-dependent coupled-cluster methods for many-electron dynamics in intense laser pulses Autores: Håkon Emil Kristiansen, Øyvind Sigmundson Schøyen, Simen Kvaal, Thomas Bondo Pedersen Publicado en: The Journal of Chemical Physics, Edición 152/7, 2020, Página(s) 071102, ISSN 0021-9606 Editor: American Institute of Physics DOI: 10.1063/1.5142276 Analysis of the Extended Coupled-Cluster Method in Quantum Chemistry Autores: Andre Laestadius, Simen Kvaal Publicado en: SIAM Journal on Numerical Analysis, Edición 56/2, 2018, Página(s) 660-683, ISSN 0036-1429 Editor: Society for Industrial and Applied Mathematics DOI: 10.1137/17M1116611 Density–wave-function mapping in degenerate current-density-functional theory Autores: Andre Laestadius, Erik I. Tellgren Publicado en: Physical Review A, Edición 97/2, 2018, ISSN 2469-9926 Editor: American Physical Society DOI: 10.1103/PhysRevA.97.022514 Demonstrating that the nonorthogonal orbital optimized coupled cluster model converges to full configuration interaction Autores: Rolf H. Myhre Publicado en: The Journal of Chemical Physics, Edición 148/9, 2018, Página(s) 094110, ISSN 0021-9606 Editor: American Institute of Physics DOI: 10.1063/1.5006160 Uniform magnetic fields in density-functional theory Autores: Erik I. Tellgren, Andre Laestadius, Trygve Helgaker, Simen Kvaal, Andrew M. Teale Publicado en: The Journal of Chemical Physics, Edición 148/2, 2018, Página(s) 024101, ISSN 0021-9606 Editor: American Institute of Physics DOI: 10.1063/1.5007300 The coupled-cluster formalism – a mathematical perspective Autores: A. Laestadius, F. M. Faulstich Publicado en: Molecular Physics, Edición 117/17, 2018, Página(s) 2362-2373, ISSN 0026-8976 Editor: Taylor & Francis DOI: 10.1080/00268976.2018.1564848 Generalized Kohn–Sham iteration on Banach spaces Autores: Andre Laestadius, Markus Penz, Erik I. Tellgren, Michael Ruggenthaler, Simen Kvaal, Trygve Helgaker Publicado en: The Journal of Chemical Physics, Edición 149/16, 2018, Página(s) 164103, ISSN 0021-9606 Editor: American Institute of Physics DOI: 10.1063/1.5037790 Analysis of the Tailored Coupled-Cluster Method in Quantum Chemistry Autores: Fabian M. Faulstich, Andre Laestadius, Örs Legeza, Reinhold Schneider, Simen Kvaal Publicado en: SIAM Journal on Numerical Analysis, Edición 57/6, 2019, Página(s) 2579-2607, ISSN 0036-1429 Editor: Society for Industrial and Applied Mathematics DOI: 10.1137/18m1171436 Symplectic integration and physical interpretation of time-dependent coupled-cluster theory Autores: Thomas Bondo Pedersen, Simen Kvaal Publicado en: The Journal of Chemical Physics, Edición 150/14, 2019, Página(s) 144106, ISSN 0021-9606 Editor: American Institute of Physics DOI: 10.1063/1.5085390 Numerical and Theoretical Aspects of the DMRG-TCC Method Exemplified by the Nitrogen Dimer Autores: Fabian M. Faulstich, Mihály Máté, Andre Laestadius, Mihály András Csirik, Libor Veis, Andrej Antalik, Jiří Brabec, Reinhold Schneider, Jiří Pittner, Simen Kvaal, Örs Legeza Publicado en: Journal of Chemical Theory and Computation, Edición 15/4, 2019, Página(s) 2206-2220, ISSN 1549-9618 Editor: American Chemical Society DOI: 10.1021/acs.jctc.8b00960 Guaranteed Convergence of a Regularized Kohn-Sham Iteration in Finite Dimensions Autores: Markus Penz, Andre Laestadius, Erik I. Tellgren, Michael Ruggenthaler Publicado en: Physical Review Letters, Edición 123/3, 2019, ISSN 0031-9007 Editor: American Physical Society DOI: 10.1103/PhysRevLett.123.037401 Unique continuation for the magnetic Schrödinger equation Autores: Andre Laestadius, Michael Benedicks, Markus Penz Publicado en: International Journal of Quantum Chemistry, Edición 120/8, 2020, ISSN 0020-7608 Editor: John Wiley & Sons Inc. DOI: 10.1002/qua.26149 Interpretation of Coupled-Cluster Many-Electron Dynamics in Terms of Stationary States Autores: Thomas Bondo Pedersen, Håkon Emil Kristiansen, Tilmann Bodenstein, Simen Kvaal, Øyvind Sigmundson Schøyen Publicado en: Journal of Chemical Theory and Computation, Edición 17/1, 2021, Página(s) 388-404, ISSN 1549-9618 Editor: American Chemical Society DOI: 10.1021/acs.jctc.0c00977 Kohn–Sham Theory with Paramagnetic Currents: Compatibility and Functional Differentiability Autores: Andre Laestadius, Erik I. Tellgren, Markus Penz, Michael Ruggenthaler, Simen Kvaal, Trygve Helgaker Publicado en: Journal of Chemical Theory and Computation, Edición 15/7, 2019, Página(s) 4003-4020, ISSN 1549-9618 Editor: American Chemical Society DOI: 10.1021/acs.jctc.9b00141 Buscando datos de OpenAIRE... Se ha producido un error en la búsqueda de datos de OpenAIRE No hay resultados disponibles
