Eirik Fadum Kjønstad
Om
Postdoktor i Henrik Kochs gruppe.
Hovedforskningsområde: utvikling og anvendelse av coupled-cluster-teori for å beskrive elektronstrukturen for kjernedynamikk i eksiterte tilstander i fotokjemiske prosesser.
Maintainer av kvantekjemiprogrammet eT (http://etprogram.org/).
Publikasjoner
2023
-
Williams, David M. G.;
Kjønstad, Eirik Fadum;
Martínez, Todd J..
(2023)
Geometric phase in coupled cluster theory.
Journal of Chemical Physics
Vitenskapelig artikkel
-
Kjønstad, Eirik Fadum;
Koch, Henrik.
(2023)
Communication: Non-adiabatic derivative coupling elements for the coupled cluster singles and doubles model.
Journal of Chemical Physics
Vitenskapelig artikkel
2022
-
Schnack-Petersen, Anna Kristina;
Koch, Henrik;
Coriani, Sonia;
Kjønstad, Eirik Fadum.
(2022)
Efficient implementation of molecular CCSD gradients with Cholesky-decomposed electron repulsion integrals.
Journal of Chemical Physics
Vitenskapelig artikkel
2021
-
Goletto, Linda;
Kjønstad, Eirik Fadum;
Folkestad, Sarai D.;
Høyvik, Ida-Marie;
Koch, Henrik.
(2021)
Linear-Scaling Implementation of Multilevel Hartree-Fock Theory.
Journal of Chemical Theory and Computation
Vitenskapelig artikkel
-
Gulania, Sahil;
Kjønstad, Eirik Fadum;
Stanton, John F.;
Koch, Henrik;
Krylov, Anna I..
(2021)
Equation-of-motion coupled-cluster method with double electron-attaching operators: Theory, implementation, and benchmarks.
Journal of Chemical Physics
Vitenskapelig artikkel
-
Folkestad, Sarai Dery;
Kjønstad, Eirik Fadum;
Goletto, Linda;
Koch, Henrik.
(2021)
Multilevel CC2 and CCSD in Reduced Orbital Spaces: Electronic Excitations in Large Molecular Systems.
Journal of Chemical Theory and Computation
Vitenskapelig artikkel
2020
-
Kjønstad, Eirik Fadum;
Folkestad, Sarai Dery;
Koch, Henrik.
(2020)
Accelerated multimodel Newton-type algorithms for faster convergence of ground and excited state coupled cluster equations.
Journal of Chemical Physics
Vitenskapelig artikkel
-
Kjønstad, Eirik Fadum;
Koch, Henrik.
(2020)
Biorthonormal Formalism for Nonadiabatic Coupled Cluster Dynamics.
Journal of Chemical Theory and Computation
Vitenskapelig artikkel
-
Haugland, Tor S.;
Enrico, Ronca;
Kjønstad, Eirik Fadum;
Rubio, Angel;
Koch, Henrik.
(2020)
Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States.
Physical Review X
Vitenskapelig artikkel
-
Folkestad, Sarai Dery;
Kjønstad, Eirik Fadum;
Myhre, Rolf Heilemann;
Andersen, Josefine;
Balbi, Alice;
Coriani, Sonia.
(2020)
eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods.
Journal of Chemical Physics
Vitenskapelig artikkel
2019
-
Folkestad, Sarai Dery;
Kjønstad, Eirik Fadum;
Koch, Henrik.
(2019)
An efficient algorithm for Cholesky decomposition of electron repulsion integrals.
Journal of Chemical Physics
Vitenskapelig artikkel
-
Kjønstad, Eirik Fadum;
Koch, Henrik.
(2019)
An Orbital Invariant Similarity Constrained Coupled Cluster Model.
Journal of Chemical Theory and Computation
Vitenskapelig artikkel
-
Faber, Rasmus;
Kjønstad, Eirik Fadum;
Koch, Henrik;
Coriani, Sonia.
(2019)
Spin adapted implementation of EOM-CCSD for triplet excited states: Probing intersystem crossings of acetylacetone at the carbon and oxygen K-edges.
Journal of Chemical Physics
Vitenskapelig artikkel
2017
-
Kjønstad, Eirik Fadum;
Heilemann Myhre, Rolf;
Martinez, Todd J.;
Koch, Henrik.
(2017)
Crossing conditions in coupled cluster theory.
Journal of Chemical Physics
Vitenskapelig artikkel
-
Kjønstad, Eirik Fadum;
Koch, Henrik.
(2017)
Resolving the Notorious Case of Conical Intersections for Coupled Cluster Dynamics.
The Journal of Physical Chemistry Letters
Vitenskapelig artikkel
2016
-
Kjønstad, Eirik;
Koch, Henrik.
(2016)
Symmetric Coupled Cluster Theory.
NTNU
Mastergradsoppgave
Tidsskriftspublikasjoner
-
Williams, David M. G.;
Kjønstad, Eirik Fadum;
Martínez, Todd J..
(2023)
Geometric phase in coupled cluster theory.
Journal of Chemical Physics
Vitenskapelig artikkel
-
Kjønstad, Eirik Fadum;
Koch, Henrik.
(2023)
Communication: Non-adiabatic derivative coupling elements for the coupled cluster singles and doubles model.
Journal of Chemical Physics
Vitenskapelig artikkel
-
Schnack-Petersen, Anna Kristina;
Koch, Henrik;
Coriani, Sonia;
Kjønstad, Eirik Fadum.
(2022)
Efficient implementation of molecular CCSD gradients with Cholesky-decomposed electron repulsion integrals.
Journal of Chemical Physics
Vitenskapelig artikkel
-
Goletto, Linda;
Kjønstad, Eirik Fadum;
Folkestad, Sarai D.;
Høyvik, Ida-Marie;
Koch, Henrik.
(2021)
Linear-Scaling Implementation of Multilevel Hartree-Fock Theory.
Journal of Chemical Theory and Computation
Vitenskapelig artikkel
-
Gulania, Sahil;
Kjønstad, Eirik Fadum;
Stanton, John F.;
Koch, Henrik;
Krylov, Anna I..
(2021)
Equation-of-motion coupled-cluster method with double electron-attaching operators: Theory, implementation, and benchmarks.
Journal of Chemical Physics
Vitenskapelig artikkel
-
Folkestad, Sarai Dery;
Kjønstad, Eirik Fadum;
Goletto, Linda;
Koch, Henrik.
(2021)
Multilevel CC2 and CCSD in Reduced Orbital Spaces: Electronic Excitations in Large Molecular Systems.
Journal of Chemical Theory and Computation
Vitenskapelig artikkel
-
Kjønstad, Eirik Fadum;
Folkestad, Sarai Dery;
Koch, Henrik.
(2020)
Accelerated multimodel Newton-type algorithms for faster convergence of ground and excited state coupled cluster equations.
Journal of Chemical Physics
Vitenskapelig artikkel
-
Kjønstad, Eirik Fadum;
Koch, Henrik.
(2020)
Biorthonormal Formalism for Nonadiabatic Coupled Cluster Dynamics.
Journal of Chemical Theory and Computation
Vitenskapelig artikkel
-
Haugland, Tor S.;
Enrico, Ronca;
Kjønstad, Eirik Fadum;
Rubio, Angel;
Koch, Henrik.
(2020)
Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States.
Physical Review X
Vitenskapelig artikkel
-
Folkestad, Sarai Dery;
Kjønstad, Eirik Fadum;
Myhre, Rolf Heilemann;
Andersen, Josefine;
Balbi, Alice;
Coriani, Sonia.
(2020)
eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods.
Journal of Chemical Physics
Vitenskapelig artikkel
-
Folkestad, Sarai Dery;
Kjønstad, Eirik Fadum;
Koch, Henrik.
(2019)
An efficient algorithm for Cholesky decomposition of electron repulsion integrals.
Journal of Chemical Physics
Vitenskapelig artikkel
-
Kjønstad, Eirik Fadum;
Koch, Henrik.
(2019)
An Orbital Invariant Similarity Constrained Coupled Cluster Model.
Journal of Chemical Theory and Computation
Vitenskapelig artikkel
-
Faber, Rasmus;
Kjønstad, Eirik Fadum;
Koch, Henrik;
Coriani, Sonia.
(2019)
Spin adapted implementation of EOM-CCSD for triplet excited states: Probing intersystem crossings of acetylacetone at the carbon and oxygen K-edges.
Journal of Chemical Physics
Vitenskapelig artikkel
-
Kjønstad, Eirik Fadum;
Heilemann Myhre, Rolf;
Martinez, Todd J.;
Koch, Henrik.
(2017)
Crossing conditions in coupled cluster theory.
Journal of Chemical Physics
Vitenskapelig artikkel
-
Kjønstad, Eirik Fadum;
Koch, Henrik.
(2017)
Resolving the Notorious Case of Conical Intersections for Coupled Cluster Dynamics.
The Journal of Physical Chemistry Letters
Vitenskapelig artikkel
Rapport
-
Kjønstad, Eirik;
Koch, Henrik.
(2016)
Symmetric Coupled Cluster Theory.
NTNU
Mastergradsoppgave
Formidling
2018
-
Vitenskapelig foredragFolkestad, Sarai Dery; Kjønstad, Eirik Fadum; Koch, Henrik. (2018) Efficient Cholesky decomposition algorithms for multilevel methods. Department of Chemistry, Aarhus Universitet Methods and Algorithms in Quantum Chemistry , Aarhus 2018-12-13 - 2018-12-15