Publications of Heiko Appel

Dimitrov, T., H. Appel, J.I. Fuks and A. Rubio: Exact maps in density functional theory for lattice models. New Journal of Physics 18 (8), 083004 (2016).

Lubasch, M., J.I. Fuks, H. Appel, A. Rubio, J.I. Cirac and M.-C. Bañuls: Systematic construction of density functionals based on matrix product state computations. New Journal of Physics 18 (8), 083039 (2016).

Flick, J., M. Ruggenthaler, H. Appel and A. Rubio: Kohn–Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space. Proceedings of the National Academy of Sciences of the USA 112 (50), 15285–15290 (2015).

Pellegrini, C., J. Flick, I.V. Tokatly, H. Appel and A. Rubio: Optimized Effective Potential for Quantum Electrodynamical Time-Dependent Density Functional Theory. Physical Review Letters 115 (9), 093001 (2015).

Säkkinen, N., Y. Peng, H. Appel and R. van Leeuwen: Many-body Green’s function theory for electron-phonon interactions: Ground state properties of the Holstein dimer. The Journal of Chemical Physics 143 (23), 234101 (2015).

Säkkinen, N., Y. Peng, H. Appel and R. van Leeuwen: Many-body Green’s function theory for electron-phonon interactions: The Kadanoff-Baym approach to spectral properties of the Holstein dimer. The Journal of Chemical Physics 143 (23), 234102 (2015).

Albareda Piquer, G., H. Appel, I. Franco, A. Abedi and A. Rubio: Correlated Electron-Nuclear Dynamics with Conditional Wave Functions. Physical Review Letters 113 (8), 083003 (2014).

Flick, J., H. Appel and A. Rubio: Nonadiabatic and Time-Resolved Photoelectron Spectroscopy for Molecular Systems. Journal of Chemical Theory and Computation 10 (4), 1665–1676 (2014).

Malic, E., H. Appel, O.T. Hofmann and A. Rubio: Förster-Induced Energy Transfer in Functionalized Graphene. The Journal of Physical Chemistry C 118 (17), 9283–9289 (2014).

Malic, E., H. Appel, O.T. Hofmann and A. Rubio: Energy transfer in porphyrin-functionalized graphene. Physica Status Solidi B 251 (12), 2495–2498 (2014).

Peng, Y., L.M. Ghiringhelli and H. Appel: A quantum reactive scattering perspective on electronic nonadiabaticity. The European Physical Journal B: Condensend Matter Physics 87 (7), 155 (2014).

Ruggenthaler, M., J. Flick, C. Pellegrini, H. Appel, I.V. Tokatly and A. Rubio: Quantum-electrodynamical density-functional theory: Bridging quantum optics and electronic-structure theory. Physical Review A 90 (1), 012508 (2014).

Franco, I. and H. Appel: Reduced purities as measures of decoherence in many-electron systems. The Journal of Chemical Physics 139 (9), 094109 (2013).

Fuks, J.I., M. Farzanehpour, I.V. Tokatly, H. Appel, S. Kurth and A. Rubio: Time-dependent exchange-correlation functional for a Hubbard dimer: Quantifying nonadiabatic effects. Physical Review A 88 (6), 062512 (2013).

Hofmann-Mees, D., H. Appel, M. Di Ventra and S. Kümmel: Determining Excitation-Energy Transfer Times and Mechanisms from Stochastic Time-Dependent Density Functional Theory. The Journal of Physical Chemistry B 117 (46), 14408–14419 (2013).

De Giovannini, U., D. Varsano, M.A.L. Marques, H. Appel, E.K.U. Gross and A. Rubio: Ab initio angle- and energy-resolved photoelectron spectroscopy with time-dependent density-functional theory. Physical Review A 85 (6), 062515 (2012).

Appel, H. and M. Di Ventra: Stochastic quantum molecular dynamics for finite and extended systems. Chemical Physics Letters 391 (1), 27–36 (2011).

Helbig, N., J.I. Fuks, I.V. Tokatly, H. Appel, E.K.U. Gross and A. Rubio: Time-dependent density-functional and reduced density-matrix methods for few electrons: Exact versus adiabatic approximations. Chemical Physics 391 (1), 1–10 (2011).

Zhang, G.-X., A. Tkatchenko, J. Paier, H. Appel and M. Scheffler: Van der Waals Interactions in Ionic and Semiconductor Solids. Physical Review Letters 107 (24), 245501 (2011).

Appel, H. and E.K.U. Gross: Time-dependent natural oribitals and occupation numbers. Europhysics letters 92 (2), 23001 (2010).