Koch H - Search Results

1

Energy-Based Molecular Orbital Localization in a Specific Spatial Region.

Giovannini T, Koch H. Giovannini T, et al. Among authors: koch h. J Chem Theory Comput. 2021 Jan 12;17(1):139-150. doi: 10.1021/acs.jctc.0c00737. Epub 2020 Dec 18. J Chem Theory Comput. 2021. PMID: 33337150 Free article.

2

Optical Rotation from Coupled Cluster and Density Functional Theory: The Role of Basis Set Convergence.

Haghdani S, Åstrand PO, Koch H. Haghdani S, et al. Among authors: koch h. J Chem Theory Comput. 2016 Feb 9;12(2):535-48. doi: 10.1021/acs.jctc.5b00721. Epub 2016 Jan 25. J Chem Theory Comput. 2016. PMID: 26672621

3

Near-Edge X-ray Absorption Fine Structure within Multilevel Coupled Cluster Theory.

Myhre RH, Coriani S, Koch H. Myhre RH, et al. Among authors: koch h. J Chem Theory Comput. 2016 Jun 14;12(6):2633-43. doi: 10.1021/acs.jctc.6b00216. Epub 2016 Jun 6. J Chem Theory Comput. 2016. PMID: 27182829

4

Density-Based Multilevel Hartree-Fock Model.

Sæther S, Kjærgaard T, Koch H, Høyvik IM. Sæther S, et al. Among authors: koch h. J Chem Theory Comput. 2017 Nov 14;13(11):5282-5290. doi: 10.1021/acs.jctc.7b00689. Epub 2017 Oct 10. J Chem Theory Comput. 2017. PMID: 28945970

5

Large-Scale Electron Correlation Calculations: Rank-Reduced Full Configuration Interaction.

Fales BS, Seritan S, Settje NF, Levine BG, Koch H, Martínez TJ. Fales BS, et al. Among authors: koch h. J Chem Theory Comput. 2018 Aug 14;14(8):4139-4150. doi: 10.1021/acs.jctc.8b00382. Epub 2018 Jul 16. J Chem Theory Comput. 2018. PMID: 29889519

6

An Orbital Invariant Similarity Constrained Coupled Cluster Model.

Kjønstad EF, Koch H. Kjønstad EF, et al. Among authors: koch h. 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

7

Multilevel CC2 and CCSD Methods with Correlated Natural Transition Orbitals.

Folkestad SD, Koch H. Folkestad SD, et al. Among authors: koch h. J Chem Theory Comput. 2020 Jan 14;16(1):179-189. doi: 10.1021/acs.jctc.9b00701. Epub 2019 Dec 10. J Chem Theory Comput. 2020. PMID: 31743013

8

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: koch h. J Chem Phys. 2020 May 14;152(18):184103. doi: 10.1063/5.0004713. J Chem Phys. 2020. PMID: 32414265

9

Equation-of-Motion MLCCSD and CCSD-in-HF Oscillator Strengths and Their Application to Core Excitations.

Folkestad SD, Koch H. Folkestad SD, et al. Among authors: koch h. J Chem Theory Comput. 2020 Nov 10;16(11):6869-6879. doi: 10.1021/acs.jctc.0c00707. Epub 2020 Oct 23. J Chem Theory Comput. 2020. PMID: 32955866 Free PMC article.

10

New and Efficient Implementation of CC3.

Paul AC, Myhre RH, Koch H. Paul AC, et al. Among authors: koch h. J Chem Theory Comput. 2021 Jan 12;17(1):117-126. doi: 10.1021/acs.jctc.0c00686. Epub 2020 Dec 2. J Chem Theory Comput. 2021. PMID: 33263255 Free PMC article.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

2,391 results

Search Page

Filters