Related papers: Infrared Spectroscopy plausible
It often goes unnoticed that, even for a finite number of degrees of freedom, the canonical commutation relations have many inequivalent irreducible unitary representations; the free particle and a particle in a box provide examples that…
The paper analyses the SEHR spectra of symmetrical molecules on the base of the dipole-quadrupole SEHRS theory. Existence of the bands, caused by vibrations transforming after the unit irreducible representations of corresponding symmetry…
Electromagnetic fields with complex spatial variation routinely arise in Nature. We study the response of a small molecule to monochromatic fields of arbitrary three-dimensional geometry. First, we consider the allowed configurations of the…
In the description of electron spin obtained through the conventional Copenhagen interpretation of quantum mechanics, the concrete picture of rotation was replaced by an abstract mathematical representation; visualization or visualisability…
The interpretation of experimental spatially resolved scanning tunneling spectroscopy (STS) maps of close-shell molecules on surfaces is usually interpreted within the framework of oneelectron molecular orbitals. Although this standard…
Diffraction experiments have moved to ever heavier objects in recent years, now standing at the level of large molecules. Experiments in materials science on the other hand have come down to ever smaller sizes largely due to the success of…
We compute spectra of symmetric random matrices defined on graphs exhibiting a modular structure. Modules are initially introduced as fully connected sub-units of a graph. By contrast, inter-module connectivity is taken to be incomplete.…
Quantum beats in nonlinear spectroscopy of molecular aggregates are often attributed to electronic phenomena of excitonic systems, while nuclear degrees of freedom are commonly included into models as overdamped oscillations of bath…
When addressing spatial biological questions using mathematical models, symmetries within the system are often exploited to simplify the problem by reducing its physical dimension. In a reduced-dimension model molecular movement is…
Photon-based spectroscopies have had a significant impact on both fundamental science and applications by providing an efficient approach to investigate the microscopic physics of materials. Together with the development of synchrotron…
We undertake a semiclassical analysis of the spectral properties (modulations of photoabsorption spectra, energy level statistics) of a simple Rydberg molecule in static fields within the framework of Closed-Orbit/Periodic-Orbit theories.…
Starting from the ACV approach to transplanckian scattering, we present a development of the reduced-action model in which the (improved) eikonal representation is able to describe particles' motion at large scattering angle and,…
The propensity of molecules to spatially align along the polarization vector of intense, pulsed light fields is related to readily-accessible parameters (molecular polarizabilities, moment of inertia, peak intensity of the light and its…
A fully quantal algebraic version of the Bohr-Mottelson unified model is presented with the important property that its quantisation is defined by its irreducible unitary representations which span the many-nucleon Hilbert space of every…
A deformable body can rotate even with no angular momentum, simply by changing its shape. A good example is a falling cat, how it maneuvers in air to land on its feet. Here a first principles molecular level example of the phenomenon is…
Symmetries impose structure on the Hilbert space of a quantum mechanical model. The mathematical units of this structure are the irreducible representations of symmetry groups and I consider how they function as conceptual units of…
With advanced fabrication techniques it is possible to make nanoscale electronic structures that have discrete energy levels. Such structures are called artificial atoms because of analogy with true atoms. Examples of such atoms are quantum…
We propose an alternative to the usual time--independent Born--Oppenheimer approximation that is specifically designed to describe molecules with non--symmetrical hydrogen bonds. In our approach, the masses of the hydrogen nuclei are scaled…
We investigate the dynamics of a rotating Morse wave packet, appropriate for a ro-vibrating diatomic molecule. The coupling between vibrational and rotational degrees of freedom is explicated in real position space as well as in phase space…
A theoretical framework is presented for the computation of rovibrational polaritonic states of a molecule in a lossless infrared (IR) microcavity. In the proposed approach the quantum treatment of the rotational and vibrational motion of…