Improved CPS and CBS Extrapolation of PNO-CCSD(T) Energies: The MOBH35 and ISOL24 Data Sets
Sorathia, Kesha, Frantzov, Damyan, Tew, David P.
Published in Journal of chemical theory and computation (09.04.2024)
Published in Journal of chemical theory and computation (09.04.2024)
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Role of Valence and Semicore Electron Correlation on Spin Gaps in Fe(II)-Porphyrins
Li Manni, Giovanni, Kats, Daniel, Tew, David P, Alavi, Ali
Published in Journal of chemical theory and computation (12.03.2019)
Published in Journal of chemical theory and computation (12.03.2019)
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Journal Article
Ab initio instanton rate theory made efficient using Gaussian process regression
Laude, Gabriel, Calderini, Danilo, Tew, David P, Richardson, Jeremy O
Published in Faraday discussions (13.12.2018)
Published in Faraday discussions (13.12.2018)
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Explicitly Correlated Electrons in Molecules
Hättig, Christof, Klopper, Wim, Köhn, Andreas, Tew, David P
Published in Chemical reviews (11.01.2012)
Published in Chemical reviews (11.01.2012)
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A Regularized Second-Order Correlation Method from Green’s Function Theory
Coveney, Christopher J. N., Tew, David P.
Published in Journal of chemical theory and computation (11.07.2023)
Published in Journal of chemical theory and computation (11.07.2023)
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Journal Article
Simulating the vibrational quantum dynamics of molecules using photonics
Sparrow, Chris, Martín-López, Enrique, Maraviglia, Nicola, Neville, Alex, Harrold, Christopher, Carolan, Jacques, Joglekar, Yogesh N., Hashimoto, Toshikazu, Matsuda, Nobuyuki, O’Brien, Jeremy L., Tew, David P., Laing, Anthony
Published in Nature (London) (01.05.2018)
Published in Nature (London) (01.05.2018)
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Interplay between electronic correlation and metal-ligand delocalization in the spectroscopy of transition metal compounds: case study on a series of planar Cu$^{2+}$ complexes
Giner, Emmanuel, Tew, David P, Garniron, Yann, Alavi, Ali
Published in Journal of chemical theory and computation (11.12.2018)
Published in Journal of chemical theory and computation (11.12.2018)
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