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pro vyhledávání: '"Eric W. Fischer"'
Autor:
Eric W. Fischer, Peter Saalfrank
Microcavities have been shown to influence the reactivity of molecular ensembles by strong coupling of molecular vibrations to quantized cavity modes. In quantum mechanical treatments of such scenarios, frequently idealized models with single molecul
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e3e1732bdfedc78cfa6aa91a4741ef93
Autor:
Eric W. Fischer, Peter Saalfrank
We study theoretically the quantum dynamics and spectroscopy of rovibrational polaritons formed in a model system composed of a single rovibrating diatomic molecule, which interacts with two degenerate, orthogonally polarized modes of an optical Fabr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d4bfde74cc8b79b555ddff905027cbc4
http://arxiv.org/abs/2205.00945
http://arxiv.org/abs/2205.00945
Publikováno v:
The Journal of chemical physics. 156(15)
It has been experimentally demonstrated that reaction rates for molecules embedded in microfluidic optical cavities are altered when compared to rates observed under "ordinary" reaction conditions. However, precise mechanisms of how strong coupling o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d24b276da6056b5e0303277a105b4bb3
https://pubmed.ncbi.nlm.nih.gov/35459316
https://pubmed.ncbi.nlm.nih.gov/35459316
Autor:
Peter Saalfrank, Eric W. Fischer
Publikováno v:
The Journal of chemical physics. 155(13)
We introduce a thermofield-based formulation of the multilayer multiconfigurational time-dependent Hartree (ML-MCTDH) method to study finite temperature effects on non-adiabatic quantum dynamics from a non-stochastic, wave-function perspective. Our a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::506dfaef2e653b658879c9bb6cd032ac
https://pubmed.ncbi.nlm.nih.gov/34624972
https://pubmed.ncbi.nlm.nih.gov/34624972
Publikováno v:
The Journal of Chemical Physics. 156:214702
Vibrational dynamics of adsorbates near surfaces plays both an important role for applied surface science and as model lab for studying fundamental problems of open quantum systems. We employ a previously developed model for the relaxation of a D-Si-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7e7b5fab5104ddfea3ab0b96f1c78523
https://doi.org/10.1063/5.0092836
https://doi.org/10.1063/5.0092836
Autor:
Lin Zhou, Urs Granacher, Cem Ersoy, Clemens Markus Brahms, Can Tunca, Eric W. Fischer, Bert Arnrich
Publikováno v:
EMBC
Gait is an essential function for humans, and gait patterns in daily life provide meaningful information about a person’s cognitive and physical health conditions. Inertial measurement units (IMUs) have emerged as a promising tool for low-cost, uno
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::674264cd40c626ce117239c650c9ff0b
https://pubmed.ncbi.nlm.nih.gov/33018930
https://pubmed.ncbi.nlm.nih.gov/33018930
We present a quantum-mechanical tier model for vibrational relaxation of low-lying excited states of an adsorbate vibrational mode (system), coupled to surface phonons (bath), at zero temperature. The tier model, widely used in studies of intramolecu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1cd4114f08a8d4d4a46e2e02666b4688
https://publishup.uni-potsdam.de/frontdoor/index/index/docId/48979
https://publishup.uni-potsdam.de/frontdoor/index/index/docId/48979
Autor:
Peter Saalfrank, Eric W. Fischer
Publikováno v:
The Journal of Chemical Physics. 154:104311
Recent experiments and theory suggest that ground state properties and reactivity of molecules can be modified when placed inside a nanoscale cavity, giving rise to strong coupling between vibrational modes and the quantized cavity field. This is com
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dd7613c0fb3571a163d5c20259ada92a
https://doi.org/10.1063/5.0040853
https://doi.org/10.1063/5.0040853
Publikováno v:
The Journal of Chemical Physics. 153:064704
We discuss an efficient Hierarchical Effective Mode (HEM) representation of a high-dimensional harmonic oscillator bath, which describes phonon-driven vibrational relaxation of an adsorbate-surface system, namely, deuterium adsorbed on Si(100). Start
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ed2c335322ef7e324de4f86c3ec0a00e
https://doi.org/10.1063/5.0017716
https://doi.org/10.1063/5.0017716
Autor:
Eric W. Fischer, Phil Rosenow, Lars C. Bannow, Stephan W. Koch, Kerstin Volz, Ralf Tonner, Wolfgang Stolz
While being of persistent interest for the integration of lattice-matched laser devices with silicon circuits, the electronic structure of dilute nitride III/V-semiconductors has presented a challenge to ab initio computational approaches. The root o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6c824232d94d1d470815174867818a65