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Gruppiert nach: Dokumententyp | Veröffentlichungsdatum
Anzahl der Publikationen: 14

Zeitschriftenartikel

Gulania, Sahil; Jagau, Thomas-C.; Sanov, Andrei und Krylov, Anna I. (2020): The quest to uncover the nature of benzonitrile anion. In: Physical Chemistry Chemical Physics, Bd. 22, Nr. 9: S. 5002-5010

Vera, Mario Hernandez und Jagau, Thomas-C. (2020): Resolution-of-the-identity second-order MOller-Plesset perturbation theory with complex basis functions: Benchmark calculations and applications to strong-field ionization of polyacenes. In: Journal of Chemical Physics, Bd. 152, Nr. 17, 174103

Thompson, Travis H.; Ochsenfeld, Christian und Jagau, Thomas-C. (2019): A Schwarz inequality for complex basis function methods in non-Hermitian quantum chemistry. In: Journal of Chemical Physics, Bd. 151, Nr. 18, 184104

Lyle, Justin; Jagau, Thomas-C. und Mabbs, Richard (2019): Spectroscopy of temporary anion states: Renner-Teller coupling and electronic autodetachment in copper difluoride anion. In: Faraday Discussions, Bd. 217: S. 533-546

Gulania, Sahil; Jagau, Thomas-C. und Krylov, Anna I. (2019): EOM-CC guide to Fock-space travel: the C-2 edition. In: Faraday Discussions, Bd. 217: S. 514-532

Lyle, Justin; Chandramoulee, Sudharson Ravishankar; Hamilton, Jacob R.; Traylor, Blaine A.; Guasco, Timothy L.; Jagau, Thomas-C. und Mabbs, Richard (2018): Characterization of the vibrational properties of copper difluoride anion and neutral ground states via direct and indirect photodetachment spectroscopy. In: Journal of Chemical Physics, Bd. 149, Nr. 8, 84302

Jagau, Thomas-C. (2018): Coupled-cluster treatment of molecular strong-field ionization. In: Journal of Chemical Physics, Bd. 148, Nr. 20, 204102

Benda, Zsuzsanna und Jagau, Thomas-C. (2018): Locating Exceptional Points on Multidimensional Complex-Valued Potential Energy Surfaces. In: Journal of Physical Chemistry Letters, Bd. 9, Nr. 24: S. 6978-6984

Jagau, Thomas-C. (2018): Non-iterative triple excitations in equation-of-motion coupled-cluster theory for electron attachment with applications to bound and temporary anions. In: Journal of Chemical Physics, Bd. 148, Nr. 2, 24104

Benda, Zsuzsanna; Rickmeyer, Kerstin und Jagau, Thomas-C. (2018): Structure Optimization of Temporary Anions. In: Journal of Chemical Theory and Computation, Bd. 14, Nr. 7: S. 3468-3478

Benda, Zsuzsanna und Jagau, Thomas-C. (2018): Understanding Processes Following Resonant Electron Attachment: Minimum-Energy Crossing Points between Anionic and Neutral Potential Energy Surfaces. In: Journal of Chemical Theory and Computation, Bd. 14, Nr. 8: S. 4216-4223

Jagau, Thomas-C.; Bravaya, Ksenia B. und Krylov, Anna I. (2017): Extending Quantum Chemistry of Bound States to Electronic Resonances. In: Annual Review of Physical Chemistry, Vol 68, Bd. 68: S. 525-553

Benda, Zsuzsanna und Jagau, Thomas-C. (2017): Communication: Analytic gradients for the complex absorbing potential equation-of-motion coupled-cluster method. In: Journal of Chemical Physics, Bd. 146, Nr. 3, 31101

Jagau, Thomas-C. (2016): Investigating tunnel and above-barrier ionization using complex-scaled coupled-cluster theory. In: Journal of Chemical Physics, Bd. 145, Nr. 20, 204115

Diese Liste wurde am Sat Dec 21 19:27:09 2024 CET erstellt.