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View article: Indirect Probing of Light-Induced Nonadiabatic Dynamics in Lossy Nanocavities
Indirect Probing of Light-Induced Nonadiabatic Dynamics in Lossy Nanocavities Open
Light-induced nonadiabatic effects can arise from the interaction of a molecule with the quantized electromagnetic field of a Fabry--P\'erot or plasmonic nanocavity. In this context, the quantized radiation field mixes the vibrational, rot…
View article: Impact of dipole self-energy on cavity-induced nonadiabatic dynamics
Impact of dipole self-energy on cavity-induced nonadiabatic dynamics Open
The coupling of matter to the quantized electromagnetic field of a plasmonic or optical cavity can be harnessed to modify and control chemical and physical properties of molecules. In optical cavities, a term known as the dipole self-energ…
View article: Controlling molecular dynamics by exciting atoms in a cavity
Controlling molecular dynamics by exciting atoms in a cavity Open
Placing an atom and a molecule in a cavity opens the door to initialize molecular dynamics by exciting a level of the atom. This approach enlarges the range of choosing the light source to trigger molecular dynamics substantially. The inte…
View article: Coupling polyatomic molecules to lossy nanocavities: Lindblad vs Schrödinger description
Coupling polyatomic molecules to lossy nanocavities: Lindblad vs Schrödinger description Open
The use of cavities to impact molecular structure and dynamics has become popular. As cavities, in particular plasmonic nanocavities, are lossy and the lifetime of their modes can be very short, their lossy nature must be incorporated into…
View article: Generalized energy gap law: An open system dynamics approach to non-adiabatic phenomena in molecules
Generalized energy gap law: An open system dynamics approach to non-adiabatic phenomena in molecules Open
Non-adiabatic molecular phenomena, arising from the breakdown of the Born-Oppenheimer approximation, govern the fate of virtually all photo-physical and photochemical processes and limit the quantum efficiency of molecules and other solid-…
View article: Classical and quantum light-induced non-adiabaticity in molecular systems
Classical and quantum light-induced non-adiabaticity in molecular systems Open
The exchange of energy between electronic and nuclear motion is the origin of non-adiabaticity and plays an important role in many molecular phenomena and processes. Conical intersections (CIs) of different electronic potential energy surf…
View article: Light-induced photodissociation on the lowest three electronic states of NaH molecule
Light-induced photodissociation on the lowest three electronic states of NaH molecule Open
It has been known that electronic conical intersections in a molecular system can also be created by laser light even in diatomics. The direct consequence of these light-induced degeneracies is the appearance of a strong mixing between the…
View article: Impact of Cavity on Molecular Ionization Spectra
Impact of Cavity on Molecular Ionization Spectra Open
Ionization phenomena are widely studied for decades. With the advent of cavity technology, the question arises how quantum light affects molecular ionization. As the ionization spectrum is recorded from the neutral ground state, it is usua…
View article: Competition between collective and individual conical intersection dynamics in an optical cavity
Competition between collective and individual conical intersection dynamics in an optical cavity Open
Light-induced nonadiabatic phenomena arise when molecules or molecular ensembles are exposed to resonant external electromagnetic fields. The latter can either be classical laser or quantized cavity radiation fields, which can couple to ei…
View article: Radiative Emission of Polaritons Controlled by Light-Induced Geometric Phase
Radiative Emission of Polaritons Controlled by Light-Induced Geometric Phase Open
Polaritons - hybrid light-matter states formed in cavity - strongly change the properties of the underlying matter. In optical or plasmonic nanocavities, polaritons decay by radiative emission of the cavity, which is accessible experimenta…
View article: On the line shape of the total rovibronic absorption in laser-dressed diatomic molecules
On the line shape of the total rovibronic absorption in laser-dressed diatomic molecules Open
Recently, the rovibronic absorption and emission spectra of diatomic molecules dressed by medium-intensity laser fields have been discussed. By computing the total absorption probability as a function of dressing wavelength an asymmetric l…
View article: Topological aspects of cavity‐induced degeneracies in polyatomic molecules
Topological aspects of cavity‐induced degeneracies in polyatomic molecules Open
Conical intersections are degeneracies between multidimensional potential energy surfaces of molecular systems. It is well known that, besides these phenomena significantly modify the spectroscopic and dynamical properties of molecules, th…
View article: Signatures of light-induced nonadiabaticity in the field-dressed vibronic spectrum of formaldehyde
Signatures of light-induced nonadiabaticity in the field-dressed vibronic spectrum of formaldehyde Open
Nonadiabatic coupling is absent between the electronic ground X and first excited (singlet) A states of formaldehyde. As laser fields can induce conical intersections between these two electronic states, formaldehyde is particularly suitab…
View article: Born–Oppenheimer approximation in optical cavities: from success to breakdown
Born–Oppenheimer approximation in optical cavities: from success to breakdown Open
The coupling of a molecule and a cavity induces nonadiabaticity in the molecule which makes the description of its dynamics complicated. For polyatomic molecules, reduced-dimensional models and the use of the Born-Oppenheimer approximation…
View article: Quantum light-induced nonadiabatic phenomena in the absorption spectrum of formaldehyde: Full- and reduced-dimensionality studies
Quantum light-induced nonadiabatic phenomena in the absorption spectrum of formaldehyde: Full- and reduced-dimensionality studies Open
The coupling of a molecule to a cavity can induce conical intersections of the arising polaritonic potential energy surfaces. Such intersections give rise to the strongest possible nonadiabatic effects. By choosing an example that does not…
View article: Born–Oppenheimer approximation in optical cavities: from success to breakdown
Born–Oppenheimer approximation in optical cavities: from success to breakdown Open
The coupling of a molecule and a cavity induces nonadiabaticity in the molecule which makes the description of its dynamics complicated.
View article: Born-Oppenheimer approximation in optical cavities: from success to\n breakdown
Born-Oppenheimer approximation in optical cavities: from success to\n breakdown Open
The coupling of a molecule and a cavity induces non-adiabaticity in the\nmolecule which makes the description of its dynamics complicated. For\npolyatomic molecules, reduced-dimensional models and the use of the\nBorn-Oppenheimer approxima…
View article: Striking Generic Impact of Light-Induced Non-Adiabaticity in Polyatomic Molecules
Striking Generic Impact of Light-Induced Non-Adiabaticity in Polyatomic Molecules Open
Non-adiabaticity, i.e., the effect of mixing electronic states by nuclear motion, is a central phenomenon in molecular science. The strongest nonadiabatic effects arise due to the presence of conical intersections of electronic energy surf…
View article: Striking light-induced nonadiabatic fingerprint in the low-energy vibronic spectra of polyatomic molecules
Striking light-induced nonadiabatic fingerprint in the low-energy vibronic spectra of polyatomic molecules Open
Nonadiabaticity, i.e., the effect of mixing electronic states by nuclear motion, is a central phenomenon in molecular science. The strongest nonadiabatic effects arise due to the presence of conical intersections of electronic energy surfa…
View article: Three-player polaritons: nonadiabatic fingerprints in an entangled atom–molecule–photon system
Three-player polaritons: nonadiabatic fingerprints in an entangled atom–molecule–photon system Open
A quantum system composed of a molecule and an atomic ensemble, confined in a microscopic cavity, is investigated theoretically. The indirect coupling between atoms and the molecule, realized by their interaction with the cavity radiation …
View article: Control of photodissociation with the dynamic Stark effect induced by THz pulses
Control of photodissociation with the dynamic Stark effect induced by THz pulses Open
We demonstrate how dynamic Stark control (DSC) can be achieved on molecular\nphotodissociation in the dipole limit, using single-cycle (FWHM) laser pulses\nin the terahertz (THz) regime. As the laser-molecule interaction follows the\ninsta…
View article: Mix it up: striking nonadiabatic fingerprint in an entangled atom-molecule-photon polariton
Mix it up: striking nonadiabatic fingerprint in an entangled atom-molecule-photon polariton Open
A quantum system composed of an Na$_2$ molecule and an atomic ensemble, confined in a microscopic cavity, is investigated theoretically. The indirect coupling between atoms and the molecule, realized by their interaction with the cavity ra…
View article: Quantum control with quantum light of molecular nonadiabaticity
Quantum control with quantum light of molecular nonadiabaticity Open
Coherent control experiments in molecules are often done with shaped laser\nfields. The electric field is described classically and control over the time\nevolution of the system is achieved by shaping the laser pulses in the time or\nfreq…
View article: Rovibronic spectra of molecules dressed by light fields
Rovibronic spectra of molecules dressed by light fields Open
The theory of rovibronic spectroscopy of light-dressed molecules is presented\nwithin the framework of quantum mechanically treated molecules interacting with\nclassical light fields. Numerical applications are demonstrated for the\nhomonu…
View article: Ultrafast dynamics in the vicinity of quantum light-induced conical intersections
Ultrafast dynamics in the vicinity of quantum light-induced conical intersections Open
Nonadiabatic effects appear due to avoided crossings or conical intersections (CIs) that are either intrinsic properties in field-free space or induced by a classical laser field in a molecule. It was demonstrated that avoided crossings in…
View article: Femtosecond wave-packet revivals in ozone
Femtosecond wave-packet revivals in ozone Open
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View article: Quantum Control with Quantum Light of Molecular Nonadiabaticity
Quantum Control with Quantum Light of Molecular Nonadiabaticity Open
Coherent control experiments in molecules are often done with shaped laser fields. The electric field is described classically and control over the time evolution of the system is achieved by shaping the laser pulses in the time or frequen…
View article: Photodissociation dynamics of the LiF molecule: Two- and three-state descriptions
Photodissociation dynamics of the LiF molecule: Two- and three-state descriptions Open
The photodissociation of the lithium fluoride molecule gathered much attention lately. Theoretical works treating this subject usually consider the $1\phantom{\rule{0.16em}{0ex}}^{1}\mathrm{\ensuremath{\Sigma}}^{+}$ and $2\phantom{\rule{0.…
View article: Communication: Substantial impact of the orientation of transition dipole moments on the dynamics of diatomics in laser fields
Communication: Substantial impact of the orientation of transition dipole moments on the dynamics of diatomics in laser fields Open
The formation of light-induced conical intersections (LICIs) between electronic states of diatomic molecules has been thoroughly investigated over the past decade. In the case of running laser waves, the rotational, vibrational, and electr…
View article: Conical Intersections Induced by Quantum Light: Field-Dressed Spectra\n from the Weak to the Ultrastrong Coupling Regimes
Conical Intersections Induced by Quantum Light: Field-Dressed Spectra\n from the Weak to the Ultrastrong Coupling Regimes Open
A fundamental theoretical framework is formulated for the investigation of\nrovibronic spectra resulting from the coupling of molecules to one mode of the\nradiation field in an optical cavity. The approach involves the computation of\n(1)…