46 citations · 178 across the 15 of their papers we have counts for
15 papers
The coherent-state transformation in quantum electrodynamics coupled cluster theory
Eric W. Fischer
We analyse the coherent-state (CS) transformation in quantum electrodynamics coupled cluster (QED-CC) theory from the perspective of its non-vanishing commutator with the polariton…
Cavity-Modified Zeeman Effect via Spin-Polariton Formation
Eric W. Fischer, Michael Roemelt
We study the electronic spin Zeeman effect for an effective spin--system subject to both strong coupling to a low-frequency optical cavity and an external static magnetic fiel…
High-harmonic generation under electronic strong coupling: A time-dependent combined quantum electrodynamics/quantum chemistry study
Paul A. Albrecht, Eric W. Fischer, Tillmann Klamroth +1
The creation of light-matter hybrid states, polaritons, in a cavity offers new intriguing opportunities to manipulate the electronic structure and electron dynamics of atoms and mo…
Cavity Born-Oppenheimer Coupled Cluster Theory: Towards Electron Correlation in the Vibrational Strong Light-Matter Coupling Regime
Eric W. Fischer
We present a detailed derivation and discussion of cavity Born-Oppenheimer coupled cluster (CBO-CC) theory and address cavity-modified electron correlation in the vibrational stron…
Cavity-modified electronic interactions in molecular ensembles under vibrational strong coupling: Combined insights from cavity Born-Oppenheimer perturbation and ab initio wave function theories
Eric W. Fischer
Resonant vibrational strong coupling (VSC) between molecular vibrations and quantized field modes of low-frequency optical cavities constitutes the conceptual cornerstone of vibro-…
A quantum chemistry approach to linear vibro-polaritonic IR spectra with perturbative electron-photon correlation
Eric W. Fischer, Jan A. Syska, Peter Saalfrank
In the vibrational strong coupling (VSC) regime, molecular vibrations and resonant low-frequency cavity modes form light-matter hybrid states, named vibrational polaritons, with ch…
Shaping the Laser Control Landscape of a Hydrogen Transfer Reaction by Vibrational Strong Coupling. A Direct Optimal Control Approach
A. R. Ramos Ramos, E. W. Fischer, P. Saalfrank +1
Controlling molecular reactivity by shaped laser pulses is a long-standing goal in chemistry. Here we suggest a direct optimal control approach which combines external pulse optimi…
Beyond Cavity Born-Oppenheimer: On Non-Adiabatic Coupling and Effective Ground State Hamiltonians in Vibro-Polaritonic Chemistry
Eric W. Fischer, Peter Saalfrank
The emerging field of vibro-polaritonic chemistry studies the impact of light-matter hybrid states known as vibrational polaritons on chemical reactivity and molecular properties.…
Cavity-Catalyzed Hydrogen Transfer Dynamics in an Entangled Molecular Ensemble under Vibrational Strong Coupling
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 treatme…
Cavity-induced Non-Adiabatic Dynamics and Spectroscopy of Molecular Rovibrational Polaritons studied by Multi-Mode Quantum Models
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 interact…
Non-Markovian Vibrational Relaxation Dynamics at Surfaces
Eric W. Fischer, Michael Werther, Foudhil Bouakline +2
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…
Cavity-Altered Thermal Isomerization Rates and Dynamical Resonant Localization in Vibro-Polaritonic Chemistry
Eric W. Fischer, Janet Anders, Peter Saalfrank
It has been experimentally demonstrated that reaction rates for molecules embedded in microfluidic optical cavities are altered when compared to rates observed under "ordinary" rea…
A Thermofield-based Multilayer Multiconfigurational Time-Dependent Hartree Approach to Non-Adiabatic Quantum Dynamics at Finite Temperature
Eric W. Fischer, Peter Saalfrank
We introduce a thermofield-based formulation of the multilayer multiconfigurational time-dependent Hartree (ML-MCTDH) method to study finite temperature effects on non-adiabatic qu…
Ab initio calculations of the concentration dependent band gap reduction in dilute nitrides
Phil Rosenow, Lars C. Bannow, Eric W. Fischer +4
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 p…
An ab initio based approach to optical properties of semiconductor heterostructures
L. C. Bannow, P. Rosenow, P. Springer +5
A procedure is presented that combines density functional theory computations of bulk semiconductor alloys with the semiconductor Bloch equations, in order to achieve an ab initio…