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Institut for Kemi

Center for Chemistry of Clouds

Publications by Ove Christiansen

From Ove Christiansens group

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Bader, F., Lauvergnat, D. & Christiansen, O. (2024). Efficient vibrationally correlated calculations using n-mode expansion-based kinetic energy operators. Physical Chemistry Chemical Physics, 26(15), 11469-11481. https://doi.org/10.1039/d4cp00423j

Majland, M., Ettenhuber, P., Zinner, N. T. & Christiansen, O. (2024). Vibrational ADAPT-VQE: Critical points lead to problematic convergence. The Journal of Chemical Physics, 160(15), Artikel 154109. https://doi.org/10.1063/5.0191074

Kubečka, J., Knattrup, Y., Engsvang, M., Jensen, A. B., Ayoubi, D., Wu, H., Christiansen, O. & Elm, J. (2023). Current and future machine learning approaches for modeling atmospheric cluster formation. Nature Computational Science, 3(6), 495-503. https://doi.org/10.1038/s43588-023-00435-0

Jensen, A. B., Højlund, M. G., Zoccante, A., Madsen, N. K. & Christiansen, O. (2023). Efficient time-dependent vibrational coupled cluster computations with time-dependent basis sets at the two-mode coupling level: Full and hybrid TDMVCC[2]. The Journal of Chemical Physics, 159(20), Artikel 204106. https://doi.org/10.1063/5.0175506

Artiukhin, D. G., Godtliebsen, I. H., Schmitz, G. & Christiansen, O. (2023). Gaussian process regression adaptive density-guided approach: Toward calculations of potential energy surfaces for larger molecules. The Journal of Chemical Physics, 159(2), Artikel 024102. https://doi.org/10.1063/5.0152367

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Revideret 28.06.2023

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Ditte Thomsen