Laser-Induced Intersite Spin Transfer von Dewhurst, John Kay, Elliott, Peter, Shallcross, Sam, Gross, Eberhard K. U, Sharma, Sangeeta

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Laser-Induced Demagnetization at Ultrashort Time Scales: Predictions of TDDFT von Krieger, K, Dewhurst, J. K, Elliott, P, Sharma, S, Gross, E. K. U

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How to represent crystal structures for machine learning: Towards fast prediction of electronic properties von Schütt, K. T., Glawe, H., Brockherde, F., Sanna, A., Müller, K. R., Gross, E. K. U.

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Ab Initio Nonadiabatic Dynamics with Coupled Trajectories: A Rigorous Approach to Quantum (De)Coherence von Min, Seung Kyu, Agostini, Federica, Tavernelli, Ivano, Gross, E. K. U

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Quantum-Classical Nonadiabatic Dynamics: Coupled- vs Independent-Trajectory Methods von Agostini, Federica, Min, Seung Kyu, Abedi, Ali, Gross, E. K. U

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Ultrafast dynamics with the exact factorization von Agostini, Federica, Gross, E. K. U.

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Exact Single-Electron Approach to the Dynamics of Molecules in Strong Laser Fields von Schild, Axel, Gross, E K U

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Coupled-Trajectory Quantum-Classical Approach to Electronic Decoherence in Nonadiabatic Processes von Min, Seung Kyu, Agostini, Federica, Gross, E K U

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Exact Factorization-Based Density Functional Theory of Electrons and Nuclei von Requist, Ryan, Gross, E K U

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Is the molecular Berry phase an artifact of the Born-Oppenheimer approximation? von Min, Seung Kyu, Abedi, Ali, Kim, Kwang S, Gross, E K U

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Exact factorization of the time-dependent electron-nuclear wave function von Abedi, Ali, Maitra, Neepa T, Gross, E K U

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Correlated electron-nuclear dynamics: exact factorization of the molecular wavefunction von Abedi, Ali, Maitra, Neepa T, Gross, E K U

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Understanding band gaps of solids in generalized Kohn–Sham theory von 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

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The exact forces on classical nuclei in non-adiabatic charge transfer von Agostini, Federica, Abedi, Ali, Suzuki, Yasumitsu, Min, Seung Kyu, Maitra, Neepa T, Gross, E K U

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Bootstrap approximation for the exchange-correlation kernel of time-dependent density-functional theory von Sharma, S, Dewhurst, J K, Sanna, A, Gross, E K U

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Quantum optimal control theory von Werschnik, J, Gross, E K U

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Electronic Flux Density beyond the Born–Oppenheimer Approximation von Schild, Axel, Agostini, Federica, Gross, E. K. U

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Electronic non-adiabatic states: towards a density functional theory beyond the Born-Oppenheimer approximation von Gidopoulos, Nikitas I., Gross, E. K. U.

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Classical nuclear motion coupled to electronic non-adiabatic transitions von Agostini, Federica, Abedi, Ali, Gross, E K U

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On the Mass of Atoms in Molecules: Beyond the Born-Oppenheimer Approximation von Scherrer, Arne, Agostini, Federica, Sebastiani, Daniel, Gross, E. K. U., Vuilleumier, Rodolphe

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