Quantum-Classical Nonadiabatic Dynamics: Coupled- vs Independent-Trajectory Methods
Agostini, Federica, Min, Seung Kyu, Abedi, Ali, Gross, E. K. U
Published in Journal of chemical theory and computation (10.05.2016)
Published in Journal of chemical theory and computation (10.05.2016)
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Journal Article
Improved clinical laboratory identification of human pathogenic yeasts by matrix-assisted laser desorption ionization time-of-flight mass spectrometry
Bader, O., Weig, M., Taverne-Ghadwal, L., Lugert, R., Groß, U., Kuhns, M.
Published in Clinical microbiology and infection (01.09.2011)
Published in Clinical microbiology and infection (01.09.2011)
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Journal Article
Ocular toxoplasmosis past, present and new aspects of an old disease
Maenz, M., Schlüter, D., Liesenfeld, O., Schares, G., Gross, U., Pleyer, U.
Published in Progress in retinal and eye research (01.03.2014)
Published in Progress in retinal and eye research (01.03.2014)
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Journal Article
Laser-Induced Demagnetization at Ultrashort Time Scales: Predictions of TDDFT
Krieger, K, Dewhurst, J. K, Elliott, P, Sharma, S, Gross, E. K. U
Published in Journal of chemical theory and computation (13.10.2015)
Published in Journal of chemical theory and computation (13.10.2015)
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Journal Article
Understanding band gaps of solids in generalized Kohn–Sham theory
Perdew, John P., Yang, Weitao, Burke, Kieron, Yang, Zenghui, Gross, Eberhard K. U., Scheffler, Matthias, Scuseria, Gustavo E., Henderson, Thomas M., Zhang, Igor Ying, Ruzsinszky, Adrienn, Peng, Haowei, Sun, Jianwei, Trushin, Egor, Görling, Andreas
Published in Proceedings of the National Academy of Sciences - PNAS (14.03.2017)
Published in Proceedings of the National Academy of Sciences - PNAS (14.03.2017)
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Journal Article
Is the molecular Berry phase an artifact of the Born-Oppenheimer approximation?
Min, Seung Kyu, Abedi, Ali, Kim, Kwang S, Gross, E K U
Published in Physical review letters (31.12.2014)
Published in Physical review letters (31.12.2014)
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Journal Article
The exact forces on classical nuclei in non-adiabatic charge transfer
Agostini, Federica, Abedi, Ali, Suzuki, Yasumitsu, Min, Seung Kyu, Maitra, Neepa T, Gross, E K U
Published in The Journal of chemical physics (28.02.2015)
Published in The Journal of chemical physics (28.02.2015)
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Journal Article
Electronic non-adiabatic states: towards a density functional theory beyond the Born-Oppenheimer approximation
Gidopoulos, Nikitas I., Gross, E. K. U.
Published in Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences (13.03.2014)
Published in Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences (13.03.2014)
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Journal Article
Classical nuclear motion coupled to electronic non-adiabatic transitions
Agostini, Federica, Abedi, Ali, Gross, E K U
Published in The Journal of chemical physics (07.12.2014)
Published in The Journal of chemical physics (07.12.2014)
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Journal Article
On the Mass of Atoms in Molecules: Beyond the Born-Oppenheimer Approximation
Scherrer, Arne, Agostini, Federica, Sebastiani, Daniel, Gross, E. K. U., Vuilleumier, Rodolphe
Published in Physical review. X (25.08.2017)
Published in Physical review. X (25.08.2017)
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Journal Article
Time-dependent density functional theory: past, present, and future
Burke, Kieron, Werschnik, Jan, Gross, E K U
Published in The Journal of chemical physics (08.08.2005)
Published in The Journal of chemical physics (08.08.2005)
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