Multireference Approaches for Excited States of Molecules
Lischka, Hans, Nachtigallová, Dana, Aquino, Adélia J. A, Szalay, Péter G, Plasser, Felix, Machado, Francisco B. C, Barbatti, Mario
Published in Chemical reviews (08.08.2018)
Published in Chemical reviews (08.08.2018)
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Journal Article
Accuracy of Spin-Component-Scaled CC2 Excitation Energies and Potential Energy Surfaces
Tajti, Attila, Szalay, Péter G
Published in Journal of chemical theory and computation (08.10.2019)
Published in Journal of chemical theory and computation (08.10.2019)
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Journal Article
Benchmarking Coupled Cluster Methods on Valence Singlet Excited States
Kánnár, Dániel, Szalay, Péter G
Published in Journal of chemical theory and computation (09.09.2014)
Published in Journal of chemical theory and computation (09.09.2014)
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Journal Article
Accuracy of Coupled Cluster Excitation Energies in Diffuse Basis Sets
Kánnár, Dániel, Tajti, Attila, Szalay, Péter G
Published in Journal of chemical theory and computation (10.01.2017)
Published in Journal of chemical theory and computation (10.01.2017)
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Journal Article
Accuracy of Spin-Component Scaled ADC(2) Excitation Energies and Potential Energy Surfaces
Tajti, Attila, Tulipán, Levente, Szalay, Péter G
Published in Journal of chemical theory and computation (14.01.2020)
Published in Journal of chemical theory and computation (14.01.2020)
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Journal Article
A New Benchmark Set for Excitation Energy of Charge Transfer States: Systematic Investigation of Coupled Cluster Type Methods
Kozma, Balázs, Tajti, Attila, Demoulin, Baptiste, Izsák, Róbert, Nooijen, Marcel, Szalay, Péter G
Published in Journal of chemical theory and computation (14.07.2020)
Published in Journal of chemical theory and computation (14.07.2020)
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Journal Article
Benchmark Studies on the Building Blocks of DNA. 1. Superiority of Coupled Cluster Methods in Describing the Excited States of Nucleobases in the Franck–Condon Region
Szalay, Péter G, Watson, Thomas, Perera, Ajith, Lotrich, Victor F, Bartlett, Rodney J
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.06.2012)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.06.2012)
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Journal Article
Accuracy of Coupled Cluster Excited State Potential Energy Surfaces
Tajti, Attila, Stanton, John F, Matthews, Devin A, Szalay, Péter G
Published in Journal of chemical theory and computation (13.11.2018)
Published in Journal of chemical theory and computation (13.11.2018)
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Journal Article
Benchmark Studies on the Building Blocks of DNA. 3. Watson–Crick and Stacked Base Pairs
Szalay, Péter G, Watson, Thomas, Perera, Ajith, Lotrich, Victor, Bartlett, Rodney J
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (18.04.2013)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (18.04.2013)
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Journal Article
Performance of Multilevel Methods for Excited States
Hégely, Bence, Szirmai, Ádám B., Mester, Dávid, Tajti, Attila, Szalay, Péter G., Kállay, Mihály
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.09.2022)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.09.2022)
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