Appel H - Search Results

1

Modification of excitation and charge transfer in cavity quantum-electrodynamical chemistry.

Schäfer C, Ruggenthaler M, Appel H, Rubio A. Schäfer C, et al. Among authors: appel h. Proc Natl Acad Sci U S A. 2019 Mar 12;116(11):4883-4892. doi: 10.1073/pnas.1814178116. Epub 2019 Feb 7. Proc Natl Acad Sci U S A. 2019. PMID: 30733295 Free PMC article.

2

Förster-Induced Energy Transfer in Functionalized Graphene.

Malic E, Appel H, Hofmann OT, Rubio A. Malic E, et al. Among authors: appel h. J Phys Chem C Nanomater Interfaces. 2014 May 1;118(17):9283-9289. doi: 10.1021/jp5019636. Epub 2014 Apr 7. J Phys Chem C Nanomater Interfaces. 2014. PMID: 24808936 Free PMC article.

3

Correlated electron-nuclear dynamics with conditional wave functions.

Albareda G, Appel H, Franco I, Abedi A, Rubio A. Albareda G, et al. Among authors: appel h. Phys Rev Lett. 2014 Aug 22;113(8):083003. doi: 10.1103/PhysRevLett.113.083003. Epub 2014 Aug 21. Phys Rev Lett. 2014. PMID: 25192095

4

Optimized Effective Potential for Quantum Electrodynamical Time-Dependent Density Functional Theory.

Pellegrini C, Flick J, Tokatly IV, Appel H, Rubio A. Pellegrini C, et al. Among authors: appel h. Phys Rev Lett. 2015 Aug 28;115(9):093001. doi: 10.1103/PhysRevLett.115.093001. Epub 2015 Aug 24. Phys Rev Lett. 2015. PMID: 26371646

5

Nonadiabatic and Time-Resolved Photoelectron Spectroscopy for Molecular Systems.

Flick J, Appel H, Rubio A. Flick J, et al. Among authors: appel h. J Chem Theory Comput. 2014 Apr 8;10(4):1665-76. doi: 10.1021/ct4010933. Epub 2014 Mar 24. J Chem Theory Comput. 2014. PMID: 26580375

6

Kohn-Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space.

Flick J, Ruggenthaler M, Appel H, Rubio A. Flick J, et al. Among authors: appel h. Proc Natl Acad Sci U S A. 2015 Dec 15;112(50):15285-90. doi: 10.1073/pnas.1518224112. Epub 2015 Dec 1. Proc Natl Acad Sci U S A. 2015. PMID: 26627715 Free PMC article.

7

Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry.

Flick J, Ruggenthaler M, Appel H, Rubio A. Flick J, et al. Among authors: appel h. Proc Natl Acad Sci U S A. 2017 Mar 21;114(12):3026-3034. doi: 10.1073/pnas.1615509114. Epub 2017 Mar 8. Proc Natl Acad Sci U S A. 2017. PMID: 28275094 Free PMC article.

8

Cavity Born-Oppenheimer Approximation for Correlated Electron-Nuclear-Photon Systems.

Flick J, Appel H, Ruggenthaler M, Rubio A. Flick J, et al. Among authors: appel h. J Chem Theory Comput. 2017 Apr 11;13(4):1616-1625. doi: 10.1021/acs.jctc.6b01126. Epub 2017 Mar 21. J Chem Theory Comput. 2017. PMID: 28277664 Free PMC article.

9

Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State.

Flick J, Schäfer C, Ruggenthaler M, Appel H, Rubio A. Flick J, et al. Among authors: appel h. ACS Photonics. 2018 Mar 21;5(3):992-1005. doi: 10.1021/acsphotonics.7b01279. Epub 2018 Jan 9. ACS Photonics. 2018. PMID: 29594185 Free PMC article.

10

Density-Matrix Embedding Theory Study of the One-Dimensional Hubbard-Holstein Model.

Reinhard TE, Mordovina U, Hubig C, Kretchmer JS, Schollwöck U, Appel H, Sentef MA, Rubio A. Reinhard TE, et al. Among authors: appel h. J Chem Theory Comput. 2019 Apr 9;15(4):2221-2232. doi: 10.1021/acs.jctc.8b01116. Epub 2019 Mar 12. J Chem Theory Comput. 2019. PMID: 30807149 Free PMC article.

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