Publications of Heiko Appel

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

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

Säkkinen, N.; Peng, Y.; Appel, H.; van Leeuwen, R.: 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.; Peng, Y.; Appel, H.; van Leeuwen, R.: 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)

Flick, J.; Ruggenthaler, M.; Appel, H.; Rubio, A.: 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), pp. 15285 - 15290 (2015)

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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