@article{40433,
  author       = {{Dong, Chuan-Ding and Schumacher, Stefan}},
  issn         = {{1932-7447}},
  journal      = {{The Journal of Physical Chemistry C}},
  keywords     = {{Surfaces, Coatings and Films, Physical and Theoretical Chemistry, General Energy, Electronic, Optical and Magnetic Materials}},
  number       = {{40}},
  pages        = {{21824--21830}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Microscopic Insights into Charge Formation and Energetics in n-Doped Organic Semiconductors}}},
  doi          = {{10.1021/acs.jpcc.1c05666}},
  volume       = {{125}},
  year         = {{2021}},
}

@article{40379,
  author       = {{Sukharnikov, Vladislav and Sharapova, Polina and Tikhonova, Olga}},
  issn         = {{0030-3992}},
  journal      = {{Optics & Laser Technology}},
  keywords     = {{Electrical and Electronic Engineering, Atomic and Molecular Physics, and Optics, Electronic, Optical and Magnetic Materials}},
  publisher    = {{Elsevier BV}},
  title        = {{{Managing spectral properties and Schmidt mode content of squeezed vacuum light using sum-frequency converter}}},
  doi          = {{10.1016/j.optlastec.2020.106769}},
  volume       = {{136}},
  year         = {{2021}},
}

@article{40233,
  author       = {{Meier, Lukas and Braun, Christian and Hannappel, Thomas and Schmidt, Wolf Gero}},
  issn         = {{0370-1972}},
  journal      = {{physica status solidi (b)}},
  keywords     = {{Condensed Matter Physics, Electronic, Optical and Magnetic Materials}},
  number       = {{2}},
  publisher    = {{Wiley}},
  title        = {{{Band Alignment at Ga            <sub>              <i>x</i>            </sub>            In            <sub>              1–              <i>x</i>            </sub>            P/Al            <sub>              <i>y</i>            </sub>            In            <sub>              1–              <i>y</i>            </sub>            P Alloy Interfaces from Hybrid Density Functional Theory Calculations}}},
  doi          = {{10.1002/pssb.202000463}},
  volume       = {{258}},
  year         = {{2020}},
}

@article{17067,
  author       = {{Speiser, Eugen and Esser, Norbert and Halbig, Benedikt and Geurts, Jean and Schmidt, Wolf Gero and Sanna, Simone}},
  issn         = {{0167-5729}},
  journal      = {{Surface Science Reports}},
  number       = {{1}},
  title        = {{{Vibrational Raman spectroscopy on adsorbate-induced low-dimensional surface structures}}},
  doi          = {{10.1016/j.surfrep.2020.100480}},
  volume       = {{75}},
  year         = {{2020}},
}

@article{26294,
  author       = {{Sperling, Jan and Phillips, D. S. and Bulmer, J. F. F and Thekkadath, G. S. and Eckstein, A. and Wolterink, T. A. W. and Lugani, J. and Nam, S. W. and Lita, A. and Gerrits, T. and Vogel, W. and Agarwal, G. S. and Silberhorn, Christine and Walmsley, I. A.}},
  issn         = {{0031-9007}},
  journal      = {{Physical Review Letters}},
  title        = {{{Detector-Agnostic Phase-Space Distributions}}},
  doi          = {{10.1103/physrevlett.124.013605}},
  year         = {{2020}},
}

@article{21023,
  author       = {{Engelkemeier, M. and Lorz, L. and De, Syamsundar and Brecht, Benjamin and Dhand, I. and Plenio, M. B. and Silberhorn, Christine and Sperling, Jan}},
  issn         = {{2469-9926}},
  journal      = {{Physical Review A}},
  title        = {{{Quantum photonics with active feedback loops}}},
  doi          = {{10.1103/physreva.102.023712}},
  volume       = {{102}},
  year         = {{2020}},
}

@article{26289,
  author       = {{Nitsche, Thomas and De, Syamsundar and Barkhofen, Sonja and Meyer-Scott, Evan and Tiedau, Johannes and Sperling, Jan and Gábris, Aurél and Jex, Igor and Silberhorn, Christine}},
  issn         = {{0031-9007}},
  journal      = {{Physical Review Letters}},
  title        = {{{Local Versus Global Two-Photon Interference in Quantum Networks}}},
  doi          = {{10.1103/physrevlett.125.213604}},
  year         = {{2020}},
}

@article{40435,
  abstract     = {{<p>Coulomb binding energy is reduced when a few-molecule integer charge transfer complex (ICTC) is formed.</p>}},
  author       = {{Dong, Chuan-Ding and Schumacher, Stefan}},
  issn         = {{2050-7526}},
  journal      = {{Journal of Materials Chemistry C}},
  keywords     = {{Materials Chemistry, General Chemistry}},
  number       = {{34}},
  pages        = {{11929--11935}},
  publisher    = {{Royal Society of Chemistry (RSC)}},
  title        = {{{Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding}}},
  doi          = {{10.1039/d0tc02185g}},
  volume       = {{8}},
  year         = {{2020}},
}

@article{20582,
  author       = {{Berger, Bernd and Schmidt, Daniel and Ma, Xuekai and Schumacher, Stefan and Schneider, Christian and Höfling, Sven and Assmann, Marc}},
  journal      = {{Physical Review B}},
  number       = {{24}},
  pages        = {{245309}},
  publisher    = {{American Physical Society}},
  title        = {{{Formation dynamics of exciton-polariton vortices created by nonresonant annular pumping}}},
  doi          = {{10.1103/PhysRevB.101.245309}},
  volume       = {{101}},
  year         = {{2020}},
}

@article{40443,
  author       = {{Pukrop, Matthias and Schumacher, Stefan}},
  issn         = {{2470-0045}},
  journal      = {{Physical Review E}},
  number       = {{1}},
  publisher    = {{American Physical Society (APS)}},
  title        = {{{Externally controlled Lotka-Volterra dynamics in a linearly polarized polariton fluid}}},
  doi          = {{10.1103/physreve.101.012207}},
  volume       = {{101}},
  year         = {{2020}},
}

@article{19190,
  abstract     = {{Polarons in dielectric crystals play a crucial role for applications in integrated electronics and optoelectronics. In this work, we use density-functional theory and Green's function methods to explore the microscopic structure and spectroscopic signatures of electron polarons in lithium niobate (LiNbO3). Total-energy calculations and the comparison of calculated electron paramagnetic resonance data with available measurements reveal the formation of bound 
polarons at Nb_Li antisite defects with a quasi-Jahn-Teller distorted, tilted configuration. The defect-formation energies further indicate that (bi)polarons may form not only at 
Nb_Li antisites but also at structures where the antisite Nb atom moves into a neighboring empty oxygen octahedron. Based on these structure models, and on the calculated charge-transition levels and potential-energy barriers, we propose two mechanisms for the optical and thermal splitting of bipolarons, which provide a natural explanation for the reported two-path recombination of bipolarons. Optical-response calculations based on the Bethe-Salpeter equation, in combination with available experimental data and new measurements of the optical absorption spectrum, further corroborate the geometries proposed here for free and defect-bound (bi)polarons.}},
  author       = {{Schmidt, Falko and Kozub, Agnieszka L. and Biktagirov, Timur and Eigner, Christof and Silberhorn, Christine and Schindlmayr, Arno and Schmidt, Wolf Gero and Gerstmann, Uwe}},
  issn         = {{2643-1564}},
  journal      = {{Physical Review Research}},
  number       = {{4}},
  publisher    = {{American Physical Society}},
  title        = {{{Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations}}},
  doi          = {{10.1103/PhysRevResearch.2.043002}},
  volume       = {{2}},
  year         = {{2020}},
}

@article{17066,
  author       = {{Aldahhak, Hazem and Powroźnik, Paulina and Pander, Piotr and Jakubik, Wiesław and Dias, Fernando B. and Schmidt, Wolf Gero and Gerstmann, Uwe and Krzywiecki, Maciej}},
  issn         = {{1932-7447}},
  journal      = {{The Journal of Physical Chemistry C}},
  number       = {{124}},
  pages        = {{6090--6102}},
  title        = {{{Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures}}},
  doi          = {{10.1021/acs.jpcc.9b11116}},
  year         = {{2020}},
}

@article{17069,
  author       = {{Biktagirov, Timur and Schmidt, Wolf Gero and Gerstmann, Uwe}},
  issn         = {{2643-1564}},
  journal      = {{Physical Review Research}},
  number       = {{2}},
  title        = {{{Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits}}},
  doi          = {{10.1103/physrevresearch.2.022024}},
  volume       = {{2}},
  year         = {{2020}},
}

@article{19194,
  author       = {{Biktagirov, Timur and Schmidt, Wolf Gero and Gerstmann, Uwe}},
  issn         = {{2643-1564}},
  journal      = {{Physical Review Research}},
  title        = {{{Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits}}},
  doi          = {{10.1103/physrevresearch.2.022024}},
  year         = {{2020}},
}

@article{19193,
  author       = {{Niederhausen, Jens and MacQueen, Rowan W. and Lips, Klaus and Aldahhak, Hazem and Schmidt, Wolf Gero and Gerstmann, Uwe}},
  issn         = {{0743-7463}},
  journal      = {{Langmuir}},
  pages        = {{9099--9113}},
  title        = {{{Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon}}},
  doi          = {{10.1021/acs.langmuir.0c01154}},
  year         = {{2020}},
}

@article{19654,
  author       = {{Krenz, Marvin and Gerstmann, Uwe and Schmidt, Wolf Gero}},
  issn         = {{2470-1343}},
  journal      = {{ACS Omega}},
  pages        = {{24057--24063}},
  title        = {{{Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory}}},
  doi          = {{10.1021/acsomega.0c03483}},
  year         = {{2020}},
}

@article{22883,
  author       = {{Zuo, R and Song, X and Meier, Torsten and Yang, W}},
  issn         = {{1742-6588}},
  journal      = {{Journal of Physics: Conference Series}},
  number       = {{8}},
  title        = {{{Carrier-wave population transfer in semiconductors}}},
  doi          = {{10.1088/1742-6596/1412/8/082005}},
  volume       = {{1412}},
  year         = {{2020}},
}

@article{26290,
  abstract     = {{<jats:p>We devise a method to certify nonclassical features via correlations of phase-space distributions by unifying the notions of quasiprobabilities and matrices of correlation functions. Our approach complements and extends recent results that were based on Chebyshev's integral inequality \cite{BA19}. The method developed here correlates arbitrary phase-space functions at arbitrary points in phase space, including multimode scenarios and higher-order correlations. Furthermore, our approach provides necessary and sufficient nonclassicality criteria, applies to phase-space functions beyond <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>s</mml:mi></mml:math>-parametrized ones, and is accessible in experiments. To demonstrate the power of our technique, the quantum characteristics of discrete- and continuous-variable, single- and multimode, as well as pure and mixed states are certified only employing second-order correlations and Husimi functions, which always resemble a classical probability distribution. Moreover, nonlinear generalizations of our approach are studied. Therefore, a versatile and broadly applicable framework is devised to uncover quantum properties in terms of matrices of phase-space distributions.</jats:p>}},
  author       = {{Bohmann, Martin and Agudelo, Elizabeth and Sperling, Jan}},
  issn         = {{2521-327X}},
  journal      = {{Quantum}},
  title        = {{{Probing nonclassicality with matrices of phase-space distributions}}},
  doi          = {{10.22331/q-2020-10-15-343}},
  year         = {{2020}},
}

@article{26292,
  author       = {{Sperling, Jan and Walmsley, I A}},
  issn         = {{0031-8949}},
  journal      = {{Physica Scripta}},
  title        = {{{Classical evolution in quantum systems}}},
  doi          = {{10.1088/1402-4896/ab833b}},
  year         = {{2020}},
}

@article{40438,
  abstract     = {{<jats:p>Semiconductor microcavities are frequently studied in the context of semiconductor lasers and in application-oriented fundamental research on topics such as linear and nonlinear polariton systems, polariton lasers, polariton pattern formation, and polaritonic Bose–Einstein condensates. A commonly used approach to describe theoretical properties includes a phenomenological single-mode equation that complements the equation for the nonlinear optical response (interband polarization) of the semiconductor. Here, we show how to replace the single-mode equation by a fully predictive transfer function method that, in contrast to the single-mode equation, accounts for propagation, retardation, and pulse-filtering effects of the incident light field traversing the distributed Bragg reflector (DBR) mirrors, without substantially increasing the numerical complexity of the solution. As examples, we use cavities containing GaAs quantum wells and transition-metal dichalcogenides (TMDs).</jats:p>}},
  author       = {{Carcamo, M. and Schumacher, Stefan and Binder, R.}},
  issn         = {{1559-128X}},
  journal      = {{Applied Optics}},
  keywords     = {{Atomic and Molecular Physics, and Optics, Engineering (miscellaneous), Electrical and Electronic Engineering}},
  number       = {{22}},
  publisher    = {{Optica Publishing Group}},
  title        = {{{Transfer function replacement of phenomenological single-mode equations in semiconductor microcavity modeling}}},
  doi          = {{10.1364/ao.392014}},
  volume       = {{59}},
  year         = {{2020}},
}