Nonequilibrium dynamics of the many-body electronic excitations in atomic, molecular and model systems
Final Report Abstract
The goal of this project was to develop the NEGF class of methods to describe the dynamics of electronic excitations in atomic, molecular and model systems far from equilibrium and to use these methods to study the light-matter interaction on the attosecond timescale and electron transport on the nanoscale. We were motivated by the emergence of attosecond physics, molecular electronics and tunneling spectroscopy with atomic resolution. The work on the project fulfilled all our original expectations concerning the consistent description of both neutral and charged excitations, inclusion of electronic correlations on a very high level, addressing realistic systems and a variety of excited state relaxation mechanisms. Our major works have been published in the collaboration with experimentators or in the direct comparison with most advanced experiments. Excellent agreement between theory and experiment have been found in all the cases. Also, proposals for new investigations have been made. On the more fundamental side, our works on the convergence properties of many-body perturbation theories and on the positive definite diagrammatic approximations involve international collaborations, are solving long-standing problems in condensed matter physics, and are of general interest.
Publications
- Nuclear-wave-packet dynamics mapped out by twocenter interference in the HeH molecule, Phys. Rev. A 89, 063421 (2014)
M. Schüler, Y. Pavlyukh, and J. Berakdar
(See online at https://doi.org/10.1103/PhysRevA.89.063421) - Disentangling multipole contributions to collective excitations in fullerenes, Phys. Rev. A 92, 021403 (2015)
M. Schüler, J. Berakdar and Y. Pavlyukh
(See online at https://doi.org/10.1103/PhysRevA.92.021403) - Single or double electron emission within the Keldysh nonequilibrium Green’s function and Feshbach projection operator techniques, Phys. Rev. B 91, 155116 (2015)
Y. Pavlyukh, M. Schüler and J. Berakdar
(See online at https://doi.org/10.1103/PhysRevB.91.155116) - Electron pair escape from fullerene cage via collective modes, Scientific Reports 6, 24396 (2016)
M. Schüler, Y. Pavlyukh and J. Berakdar, P. Bolognesi and L. Avaldi
(See online at https://doi.org/10.1038/srep24396) - Femtosecond dynamics of correlated many-body states in C fullerenes, New J. Phys. 18, 113055 (2016)
S. Usenko, M. Schüler, A. Azima, M. Jakob, L. L. Lazzarino, Y. Pavlyukh, A. Przystawik, M. Drescher, T. Laarmann, J. Berakdar
(See online at https://doi.org/10.1088/1367-2630/18/11/113055) - Second-order bosonic Kadanoff-Baym equations for plasmonaccompanied optical absorption, J. Phys.: Conf. Series 696, 12006 (2016)
M. Schüler and Y. Pavlyukh
(See online at https://doi.org/10.1088/1742-6596/696/1/012006) - Single and double photoemission and generalizations, J. Phys.: Conf. Series 696, 12005 (2016)
Y. Pavlyukh
(See online at https://doi.org/10.1088/1742-6596/696/1/012005) - Time-dependent many-body treatment of electronboson dynamics: Application to plasmon-accompanied photoemission, Phys. Rev. B. 93, 054303 (2016)
M. Schüler, J. Berakdar and Y. Pavlyukh
(See online at https://doi.org/10.1103/PhysRevB.93.054303) - Vertex Corrections for Positive-Definite Spectral Functions of Simple Metals, Phys. Rev. Lett. 117, 206402 (2016)
Y. Pavlyukh, A.-M. Uimonen, G. Stefanucci, R. van Leeuwen
(See online at https://doi.org/10.1103/PhysRevLett.117.206402) - Padé resummation of many-body perturbation theories, Scientific Reports 7, 504 (2017)
Y. Pavlyukh
(See online at https://doi.org/10.1038/s41598-017-00355-w)
