@article{18479, abstract = {{The GW approximation for the electronic self-energy is an important tool for the quantitative prediction of excited states in solids, but its mathematical exploration is hampered by the fact that it must, in general, be evaluated numerically even for very simple systems. In this paper I describe a nontrivial model consisting of two electrons on the surface of a sphere, interacting with the normal long-range Coulomb potential, and show that the GW self-energy, in the absence of self-consistency, can in fact be derived completely analytically in this case. The resulting expression is subsequently used to analyze the convergence of the energy gap between the highest occupied and the lowest unoccupied quasiparticle orbital with respect to the total number of states included in the spectral summations. The asymptotic formula for the truncation error obtained in this way, whose dominant contribution is proportional to the cutoff energy to the power −3/2, may be adapted to extrapolate energy gaps in other systems.}}, author = {{Schindlmayr, Arno}}, issn = {{1550-235X}}, journal = {{Physical Review B}}, number = {{7}}, publisher = {{American Physical Society}}, title = {{{Analytic evaluation of the electronic self-energy in the GW approximation for two electrons on a sphere}}}, doi = {{10.1103/PhysRevB.87.075104}}, volume = {{87}}, year = {{2013}}, } @article{40403, author = {{Sharapova, Polina and Tikhonova, O V}}, issn = {{1612-2011}}, journal = {{Laser Physics Letters}}, keywords = {{Physics and Astronomy (miscellaneous), Instrumentation}}, number = {{7}}, publisher = {{IOP Publishing}}, title = {{{Coherent control of interaction and entanglement of a Rydberg atom with few photons}}}, doi = {{10.1088/1612-2011/10/7/075204}}, volume = {{10}}, year = {{2013}}, } @article{22952, author = {{Sternemann, E. and Jostmeier, T. and Ruppert, C. and Duc, H. T. and Meier, Torsten and Betz, M.}}, issn = {{1098-0121}}, journal = {{Physical Review B}}, number = {{16}}, title = {{{Femtosecond quantum interference control of electrical currents in GaAs: Signatures beyond the perturbative χ(3) limit}}}, doi = {{10.1103/physrevb.88.165204}}, volume = {{88}}, year = {{2013}}, } @inproceedings{3980, abstract = {{Paper Abstract High harmonic generation is investigated for a two-band model of a semiconductor nanostructure. Similar to an atomic two-level system, the semiconductor emits high harmonic radiation. We show how one can specifically enhance the emission for a given frequency by applying a non-trivially shaped laser pulse. Therefore, the semiconductor Bloch equations including the interband and additionally the intraband dynamics are solved numerically and the spectral shape of the input pulse is computed via an optimization algorithm. It is demonstrated that desired emission frequencies can be favored even though the overall input power is kept constant. We also suggest special metallic nano geometries to achieve enhanced localized optical fields. They are found by geometric optimization.}}, author = {{Reichelt, Matthias and Hildebrandt, Andre and Walther, Andrea and Förstner, Jens and Meier, Torsten}}, booktitle = {{Ultrafast Phenomena and Nanophotonics XVI}}, isbn = {{9780819489036 }}, keywords = {{tet_topic_shg}}, publisher = {{SPIE}}, title = {{{Engineering high harmonic generation in semiconductors via pulse shaping}}}, doi = {{10.1117/12.906338}}, volume = {{8260}}, year = {{2012}}, } @article{22953, abstract = {{The generation of specific high harmonics for an optical two-level system is elucidated. The desired emitted radiation can be induced by a carefully designed excitation pulse, which is found by a multiparameter optimization procedure. The presented mechanism can also be applied to semiconductor structures for which the calculations result in much higher emission frequencies. The optimization procedure is either performed using a genetic algorithm or a rigorous mathematical optimization technique.}}, author = {{Reichelt, Matthias and Walther, Andrea and Meier, Torsten}}, issn = {{0740-3224}}, journal = {{Journal of the Optical Society of America B}}, number = {{2}}, title = {{{Tailoring the high-harmonic emission in two-level systems and semiconductors by pulse shaping}}}, doi = {{10.1364/josab.29.000a36}}, volume = {{29}}, year = {{2012}}, } @article{13546, author = {{Riefer, A. and Rauls, E. and Schmidt, Wolf Gero and Eberhard, J. and Stoll, I. and Mattay, J.}}, issn = {{1098-0121}}, journal = {{Physical Review B}}, number = {{16}}, title = {{{2-Aminopyrimidine-silver(I) based organic semiconductors: Electronic structure and optical response}}}, doi = {{10.1103/physrevb.85.165202}}, volume = {{85}}, year = {{2012}}, } @article{13545, author = {{Landmann, M and Rauls, E and Schmidt, Wolf Gero}}, issn = {{0953-8984}}, journal = {{Journal of Physics: Condensed Matter}}, title = {{{The electronic structure and optical response of rutile, anatase and brookite TiO2}}}, doi = {{10.1088/0953-8984/24/19/195503}}, volume = {{24}}, year = {{2012}}, } @article{13548, author = {{Thissen, Peter and Thissen, Vera and Wippermann, Stefan and Chabal, Yves J. and Grundmeier, Guido and Schmidt, Wolf Gero}}, issn = {{0039-6028}}, journal = {{Surface Science}}, pages = {{902--907}}, title = {{{pH-dependent structure and energetics of H2O/MgO(100)}}}, doi = {{10.1016/j.susc.2012.01.018}}, volume = {{606}}, year = {{2012}}, } @article{13542, author = {{Thissen, Peter and Peixoto, Tatiana and Longo, Roberto C. and Peng, Weina and Schmidt, Wolf Gero and Cho, Kyeongjae and Chabal, Yves J.}}, issn = {{0002-7863}}, journal = {{Journal of the American Chemical Society}}, pages = {{8869--8874}}, title = {{{Activation of Surface Hydroxyl Groups by Modification of H-Terminated Si(111) Surfaces}}}, doi = {{10.1021/ja300270w}}, volume = {{134}}, year = {{2012}}, } @article{13543, author = {{Rauls, E. and Schmidt, Wolf Gero and Pertram, T. and Wandelt, K.}}, issn = {{0039-6028}}, journal = {{Surface Science}}, pages = {{1120--1125}}, title = {{{Interplay between metal-free phthalocyanine molecules and Au(110) substrates}}}, doi = {{10.1016/j.susc.2012.03.010}}, volume = {{606}}, year = {{2012}}, } @article{13560, author = {{Hölscher, R. and Sanna, S. and Schmidt, Wolf Gero}}, issn = {{1862-6351}}, journal = {{physica status solidi (c)}}, number = {{6}}, pages = {{1361--1365}}, title = {{{Adsorption of OH and H at the LiNbO3(0001) surface}}}, doi = {{10.1002/pssc.201100534}}, volume = {{9}}, year = {{2012}}, } @article{13539, author = {{Rode, S. and Hölscher, R. and Sanna, S. and Klassen, S. and Kobayashi, K. and Yamada, H. and Schmidt, Wolf Gero and Kühnle, A.}}, issn = {{1098-0121}}, journal = {{Physical Review B}}, number = {{7}}, title = {{{Atomic-resolution imaging of the polar (0001¯) surface of LiNbO3in aqueous solution by frequency modulation atomic force microscopy}}}, doi = {{10.1103/physrevb.86.075468}}, volume = {{86}}, year = {{2012}}, } @article{13534, author = {{Wall, Simone and Krenzer, Boris and Wippermann, Stefan and Sanna, Simone and Klasing, Friedrich and Hanisch-Blicharski, Anja and Kammler, Martin and Schmidt, Wolf Gero and Horn-von Hoegen, Michael}}, issn = {{0031-9007}}, journal = {{Physical Review Letters}}, number = {{18}}, title = {{{Atomistic Picture of Charge Density Wave Formation at Surfaces}}}, doi = {{10.1103/physrevlett.109.186101}}, volume = {{109}}, year = {{2012}}, } @article{13536, author = {{Riefer, Arthur and Sanna, Simone and Gavrilenko, Alexander V. and Schmidt, Wolf Gero}}, issn = {{0885-3010}}, journal = {{IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control}}, number = {{9}}, pages = {{1929--1933}}, title = {{{Linear and nonlinear optical response of LiNbO3 calculated from first principles}}}, doi = {{10.1109/tuffc.2012.2409}}, volume = {{59}}, year = {{2012}}, } @article{13541, author = {{Landmann, M. and Köhler, T. and Köppen, S. and Rauls, E. and Frauenheim, T. and Schmidt, Wolf Gero}}, issn = {{1098-0121}}, journal = {{Physical Review B}}, number = {{6}}, title = {{{Fingerprints of order and disorder in the electronic and optical properties of crystalline and amorphous TiO2}}}, doi = {{10.1103/physrevb.86.064201}}, volume = {{86}}, year = {{2012}}, } @article{13531, author = {{Schmidt, Christian and Breuer, Tobias and Wippermann, Stefan and Schmidt, Wolf Gero and Witte, Gregor}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, pages = {{24098--24106}}, title = {{{Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals}}}, doi = {{10.1021/jp307316r}}, volume = {{116}}, year = {{2012}}, } @article{13535, author = {{Sanna, S. and Schmidt, Wolf Gero}}, issn = {{0885-3010}}, journal = {{IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control}}, number = {{9}}, pages = {{1925--1928}}, title = {{{Ferroelectric phase transition in LiNbO3: Insights from molecular dynamics}}}, doi = {{10.1109/tuffc.2012.2408}}, volume = {{59}}, year = {{2012}}, } @article{13538, author = {{Riefer, A. and Sanna, S. and Schmidt, Wolf Gero}}, issn = {{1098-0121}}, journal = {{Physical Review B}}, number = {{12}}, title = {{{Polarization-dependent methanol adsorption on lithium niobate Z-cut surfaces}}}, doi = {{10.1103/physrevb.86.125410}}, volume = {{86}}, year = {{2012}}, } @article{62927, abstract = {{To model intermolecular excitation transfer between organic chromophores in the framework of Förster theory, the interaction matrix element is needed for all relative orientations and separations of chromophores. Simulations of extended multi-chromophoric systems thus require a fast but reliable approximation scheme to calculate these dipole interactions. By means of a comparative study of the dipole approximation with quantum chemistry, we demonstrate that the usual line-dipole theory, while suitable for short molecules, breaks down for longer molecules with inter-molecular separations similar to or smaller than the length of the interacting chromophores; a limit that is typically found in conjugated polymer thin films. As a remedy, we propose an improved way of distributing the sub-dipole moments within a line which provides results in very good agreement with the quantum chemistry, and is still simple enough to be used in large scale simulations.}}, author = {{Denis, Jean-Christophe and Schumacher, Stefan and Galbraith, Ian}}, issn = {{0021-9606}}, journal = {{The Journal of Chemical Physics}}, number = {{22}}, publisher = {{AIP Publishing}}, title = {{{Quantitative description of interactions between linear organic chromophores}}}, doi = {{10.1063/1.4768244}}, volume = {{137}}, year = {{2012}}, } @article{15869, author = {{Wiebeler, Christian and Tautz, Raphael and Feldmann, Jochen and von Hauff, Elizabeth and Da Como, Enrico and Schumacher, Stefan}}, issn = {{1520-6106}}, journal = {{The Journal of Physical Chemistry B}}, pages = {{4454--4460}}, title = {{{Spectral Signatures of Polarons in Conjugated Co-polymers}}}, doi = {{10.1021/jp3084869}}, year = {{2012}}, }