Eirik Kjønstad
eirik.kjonstad@ntnu.no
D3-103, Gløshaugen
Bakgrunn og aktiviteter
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/).
Vitenskapelig, faglig og kunstnerisk arbeid
Viser et utvalg av aktivitet. Se alle publikasjoner i databasen
Tidsskriftspublikasjoner
- (2021) Multilevel CC2 and CCSD in Reduced Orbital Spaces: Electronic Excitations in Large Molecular Systems. Journal of Chemical Theory and Computation. vol. 17.
- (2021) Linear-Scaling Implementation of Multilevel Hartree-Fock Theory. Journal of Chemical Theory and Computation.
- (2021) Equation-of-motion coupled-cluster method with double electron-attaching operators: Theory, implementation, and benchmarks. Journal of Chemical Physics. vol. 154 (11).
- (2020) eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods. Journal of Chemical Physics. vol. 152 (18).
- (2020) Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States. Physical Review X.
- (2020) Accelerated multimodel Newton-type algorithms for faster convergence of ground and excited state coupled cluster equations. Journal of Chemical Physics. vol. 153 (1).
- (2020) Biorthonormal Formalism for Nonadiabatic Coupled Cluster Dynamics. Journal of Chemical Theory and Computation. vol. 17 (1).
- (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. vol. 151 (14).
- (2019) An efficient algorithm for Cholesky decomposition of electron repulsion integrals. Journal of Chemical Physics. vol. 150 (19).
- (2019) An Orbital Invariant Similarity Constrained Coupled Cluster Model. Journal of Chemical Theory and Computation. vol. 15 (10).
- (2017) Crossing conditions in coupled cluster theory. Journal of Chemical Physics. vol. 147 (16).
- (2017) Resolving the Notorious Case of Conical Intersections for Coupled Cluster Dynamics. The Journal of Physical Chemistry Letters. vol. 8 (19).
Rapport/avhandling
- (2016) Symmetric Coupled Cluster Theory. 2016.