Kjønstad EF - Search Results

1

Equation-of-motion coupled-cluster method with double electron-attaching operators: Theory, implementation, and benchmarks.

Gulania S, Kjønstad EF, Stanton JF, Koch H, Krylov AI. Gulania S, et al. Among authors: kjonstad ef. J Chem Phys. 2021 Mar 21;154(11):114115. doi: 10.1063/5.0041822. J Chem Phys. 2021. PMID: 33752380

2

Resolving the Notorious Case of Conical Intersections for Coupled Cluster Dynamics.

Kjønstad EF, Koch H. Kjønstad EF, et al. J Phys Chem Lett. 2017 Oct 5;8(19):4801-4807. doi: 10.1021/acs.jpclett.7b02118. Epub 2017 Sep 21. J Phys Chem Lett. 2017. PMID: 28927266

3

Crossing conditions in coupled cluster theory.

Kjønstad EF, Myhre RH, Martínez TJ, Koch H. Kjønstad EF, et al. J Chem Phys. 2017 Oct 28;147(16):164105. doi: 10.1063/1.4998724. J Chem Phys. 2017. PMID: 29096474

4

An efficient algorithm for Cholesky decomposition of electron repulsion integrals.

Folkestad SD, Kjønstad EF, Koch H. Folkestad SD, et al. Among authors: kjonstad ef. J Chem Phys. 2019 May 21;150(19):194112. doi: 10.1063/1.5083802. J Chem Phys. 2019. PMID: 31117774

5

An Orbital Invariant Similarity Constrained Coupled Cluster Model.

Kjønstad EF, Koch H. Kjønstad EF, et al. J Chem Theory Comput. 2019 Oct 8;15(10):5386-5397. doi: 10.1021/acs.jctc.9b00702. Epub 2019 Sep 20. J Chem Theory Comput. 2019. PMID: 31487174

6

Spin adapted implementation of EOM-CCSD for triplet excited states: Probing intersystem crossings of acetylacetone at the carbon and oxygen K-edges.

Faber R, Kjønstad EF, Koch H, Coriani S. Faber R, et al. Among authors: kjonstad ef. J Chem Phys. 2019 Oct 14;151(14):144107. doi: 10.1063/1.5112164. J Chem Phys. 2019. PMID: 31615219

7

e^T 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods.

Folkestad SD, Kjønstad EF, Myhre RH, Andersen JH, Balbi A, Coriani S, Giovannini T, Goletto L, Haugland TS, Hutcheson A, Høyvik IM, Moitra T, Paul AC, Scavino M, Skeidsvoll AS, Tveten ÅH, Koch H. Folkestad SD, et al. Among authors: kjonstad ef. J Chem Phys. 2020 May 14;152(18):184103. doi: 10.1063/5.0004713. J Chem Phys. 2020. PMID: 32414265

8

Accelerated multimodel Newton-type algorithms for faster convergence of ground and excited state coupled cluster equations.

Kjønstad EF, Folkestad SD, Koch H. Kjønstad EF, et al. J Chem Phys. 2020 Jul 7;153(1):014104. doi: 10.1063/5.0010989. J Chem Phys. 2020. PMID: 32640809

9

Biorthonormal Formalism for Nonadiabatic Coupled Cluster Dynamics.

Kjønstad EF, Koch H. Kjønstad EF, et al. J Chem Theory Comput. 2021 Jan 12;17(1):127-138. doi: 10.1021/acs.jctc.0c00730. Epub 2020 Dec 18. J Chem Theory Comput. 2021. PMID: 33338379 Free PMC article.

10

Multilevel CC2 and CCSD in Reduced Orbital Spaces: Electronic Excitations in Large Molecular Systems.

Folkestad SD, Kjønstad EF, Goletto L, Koch H. Folkestad SD, et al. Among authors: kjonstad ef. J Chem Theory Comput. 2021 Feb 9;17(2):714-726. doi: 10.1021/acs.jctc.0c00590. Epub 2021 Jan 8. J Chem Theory Comput. 2021. PMID: 33417769 Free PMC article.

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