@article{KenfackBanerjeePaulus2012,
  author    = {Kenfack, A. and Banerjee, Shiladitya and Paulus, Beate},
  title     = {Probing electron correlation in molecules via quantum fluxes},
  series = {Physical review : A, Atomic, molecular, and optical physics},
  volume    = {85},
  journal   = {Physical review : A, Atomic, molecular, and optical physics},
  number    = {3},
  publisher = {American Physical Society},
  address   = {College Park},
  issn      = {1050-2947},
  doi       = {10.1103/PhysRevA.85.032501},
  pages     = {6},
  year      = {2012},
  abstract  = {We present quantum simulations of a vibrating hydrogen molecule H-2 and address the issue of electron correlation. After appropriately setting the frame and the observer plane, we were able to determine precisely the number of electrons and nuclei which actually flow by evaluating electronic and nuclear fluxes. This calculation is repeated for three levels of quantum chemistry, for which we account for no correlation, Hartree-Fock, static correlation, and dynamic correlation. Exciting each of these systems with the same amount of energy, we show that the electron correlation can be revealed with the knowledge of quantum fluxes. This is evidenced by a clear sensitivity of these fluxes to electron correlation. In particular, we find that this correlation remarkably enhances more electronic yield than the nuclear one. It turns out that less electrons accompany the nuclei in Hartree-Fock than in the correlation cases.},
  language  = {en}
}
@article{BanerjeeKroenerSaalfrank2012,
  author    = {Banerjee, Shiladitya and Kr{\"o}ner, Dominik and Saalfrank, Peter},
  title     = {Resonance Raman and vibronic absorption spectra with Duschinsky rotation from a time-dependent perspective application to beta-carotene},
  series = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr},
  volume    = {137},
  journal   = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr},
  number    = {22},
  publisher = {American Institute of Physics},
  address   = {Melville},
  issn      = {0021-9606},
  doi       = {10.1063/1.4748147},
  pages     = {9},
  year      = {2012},
  abstract  = {The time-dependent approach to electronic spectroscopy, as popularized by Heller and co-workers in the 1980s, is applied here in conjunction with linear-response, time-dependent density functional theory to study vibronic absorption and resonance Raman spectra of beta-carotene, with and without a solvent. Two-state models, the harmonic and the Condon approximations are used in order to do so. A new code has been developed which includes excited state displacements, vibrational frequency shifts, and Duschinsky rotation, i.e., mode mixing, for both non-adiabatic spectroscopies. It is shown that Duschinsky rotation has a pronounced effect on the resonance Raman spectra of beta-carotene. In particular, it can explain a recently found anomalous behaviour of the so-called nu(1) peak in resonance Raman spectra [N. Tschirner, M. Schenderlein, K. Brose, E. Schlodder, M. A. Mroginski, C. Thomsen, and P. Hildebrandt, Phys. Chem. Chem. Phys. 11, 11471 (2009)], which shifts with the change in excitation wavelength.},
  language  = {en}
}
@misc{VinkHegerKrumholzetal.2012,
  author    = {Vink, Jorick Sandor and Heger, Alexander and Krumholz, Mark R. and Puls, Joachim and Banerjee, Shiladitya and Castro, Norberto and Chen, K.-J. and Chen{\`e}, A.-N. and Crowther, P. A. and Daminelli, A. and Gr{\"a}fener, G. and Groh, J. H. and Hamann, Wolf-Rainer and Heap, S. and Herrero, A. and Kaper, L. and Najarro, F. and Oskinova, Lida and Roman-Lopes, A. and Rosen, A. and Sander, A. and Shirazi, M. and Sugawara, Y. and Tramper, F. and Vanbeveren, D. and Voss, R. and Wofford, A. and Zhang, Y.},
  title     = {Very massive stars in the local universe},
  series = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe},
  journal   = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe},
  number    = {601},
  issn      = {1866-8372},
  doi       = {10.25932/publishup-41522},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-415220},
  pages     = {29},
  year      = {2012},
  abstract  = {Recent studies have claimed the existence of very massive stars (VMS) up to 300 M⊙ in the local Universe. As this finding may represent a paradigm shift for the canonical stellar upper-mass limit of 150 M⊙, it is timely to discuss the status of the data, as well as the far-reaching implications of such objects. We held a Joint Discussion at the General Assembly in Beijing to discuss (i) the determination of the current masses of the most massive stars, (ii) the formation of VMS, (iii) their mass loss, and (iv) their evolution and final fate. The prime aim was to reach broad consensus between observers and theorists on how to identify and quantify the dominant physical processes.},
  language  = {en}
}