Institut für Physikalische und Theoretische Chemie




Trendbericht Theoretische Chemie 2023: Dynamik beobachten – explizite Beschreibung der Pulseigenschaften

E. Fasshauer

Nachrichten aus der Chemie 71, 11, 67 (2023).


Interatomic Coulombic Electron Capture: the story so far

A. Bande, E. Fasshauer, A. Molle, D. Pelaez, F. Pont and N. Sisourat

J. Phys. B

DOI: 10.1088/1361-6455/ad073c


Ultrafast Resonant Interatomic Coulombic Decay Induced by Quantum Fluid Dynamics

A. C. LaForge, R. Michiels, Ovcharenko, A. Ngai, J. M. Escartin, N. Berrah, C. Callegari, A. Clark, M. Moreno, R. Cucini, M. Di Fraia, M. Drabbels, E. Fasshauer, P. Pinetti, L. Giannessi, C. Grazioli, D. Iablonskyi, T. Nishiyama, V. Oliver, P. Piseri, O. Plekan, K. C. Prince, D. Rupp, S. Stranges, K. Ueda, N. Sisourat, J. Eloranta, M. Pi, M. Barranco, F. Stienkemeier, T. Möller and M. Mudrich

Phys. Rev. X 11, 021011 (2021).


Effect of Spin-Orbit Coupling on Decay Widths of Electronic Decay Processes

E. Fasshauer

J. Chem. Phys. 152, 224307 (2020).


The DIRAC code for relativistic molecular calculations

T. Saue, R. Bast, A. S. P. Gomes, H. J. Aa. Jensen, L. Visscher, I. A. Aucar, R. Di Remigio, K. G. Dyall, E. Eliav, E. Fasshauer, T. Fleig, L. Halbert, E. D. Hedegaard, B. Helmich-Paris, M. Ilias, C. R. Jacob, S. Knecht, J. K. Laerdahl, M. L. Vidal, M. K. Nayak, M. Olejniczak, J. M. H. Olsen, M. Pernpointner, B. Senjean, A. Shee, A. Sunaga, J. N. P. van Stralen

J. Chem. Phys. 152, 204104 (2020).


Time-resolved Spectroscopy of Interparticle Coulombic Decay Processes

E. Fasshauer and L. B. Madsen

Phys. Rev. A 101, 043414 (2020).



MCTDH-X: The multiconfigurational time-dependent Hartree method for indistinguishable particles software

R. Lin, P. Molignini, L. Papariello, M. C. Tsatsos, C. Lévêque, S. E. Weiner, E. Fasshauer, R. Chitra, A. U. J. Lode

Quantum Sci. Technol. 5, 024004 (2020).


The Second-Order-Polarization-Propagator-Approximation in a 4-Component Spinor Basis

A. K. Schnack-Pedersen, M. Simmermacher, E. Fasshauer, H. J. Aa. Jensen, S. P. A. Sauer

J. Chem. Phys. 152, 134113 (2020).


Charge-exchange Dominates Long-range Interatomic Coulombic Decay of Excited Metal-doped He Nanodroplets

B. Ltaief, M. Shcherbinin, S. Mandal, S. Krishnan, A. LaForge, R. Richter, S. Turchini, N. Zema, T. Pfeifer, E. Fasshauer, N. Sisourat and M. Mudrich

Chem. Phys. Lett. 10, 6904 (2019).


Corrigendum to “Theoretical and experimental investigation of Electron Transfer Mediated Decay in ArKr clusters” [Chem. Phys. 482 (2017) 226–238]

E. Fasshauer, M. Förstel, M. Mucke, T. Arion and U. Hergenhahn

Chem. Phys. 501, 138 (2018).


Theoretical and Experimental Investigation of Electron Transfer Mediated Decay in ArKr Clusters

E. Fasshauer, M. Förstel, M. Mucke, T. Arion and U. Hergenhahn

Chem. Phys. 482, 226 (2017).


Long-Range Interatomic Coulombic Decay in ArXe Clusters: Experiment and Theory

M. Förstel, M. Mucke, T. Arion, T. Lischke, M. Pernpointner, U. Hergenhahn and E. Fasshauer

J. Phys. Chem. C 120, 22957 (2016).


Non-nearest Neighbour ICD in Clusters

E. Fasshauer

New J. Phys. 18, 043028 (2016).


The multiconfigurational time-dependent Hartree for fermions: Implementation, exactness and application to few-fermion tunneling to open space

E. Fasshauer and A. Lode

Phys. Rev. A 93, 033635 (2016).


The relativistic FanoADC-Stieltjes method

E. Fasshauer, P. Kolorenc and M. Pernpointner

J. Chem. Phys. 142, 144106 (2015).


Utilizing ICD for structure analysis of clusters. A case study on coexpanded NeAr clusters

E. Fasshauer, M. Förstel, S. Pallmann, M. Pernpointner and U. Hergenhahn

New J. Phys. 16, 103026 (2014).


Interatomic decay of inner-valence ionized states in ArXe clusters: Relativistic approach

E. Fasshauer, M. Pernpointner and K. Gokhberg

J. Chem. Phys. 138, 014305 (2013).


Spin-orbit effects, electronic decay and breakdown phenomena in the photoelectron spectra of iodomethane

M. Pernpointner, J. P. Zobel, E. Fasshauer and A. N. Sil

Chem. Phys. 407, 39 (2012).


Investigation of relativistic effects in electronic decay processes in small and large noble gas clusters by ab initio and new simulation approaches

E. Faßhauer, N. V. Kryzhevoi and M. Pernpointner

J. Chem. Phys. 133, 014303 (2010).


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