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Veröffentlichungsdatum
Anzahl der Publikationen: 14
2020
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
2019
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
2018
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
2017
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
2016
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