Related papers: Fermi resonance-algebraic model for molecular vibr…
We present here a relation of different types of Friedrichs models and their use in the description and comprehension of resonance phenomena. We first discuss the basic Friedrichs model and obtain its resonance in the case that this is…
The Algebraic Cluster Model(ACM) is an interacting boson model that gives the relative motion of the cluster configurations in which all vibrational and rotational degrees of freedom are present from the outset. We schemed a solvable…
The Raman intensity can be well described by the famous Albrecht equation that consists of A and B terms. It is well known that the contribution from Albrecht's A term can be neglected without loss of accuracy for far off-resonant Raman…
Methyl benzoate (MB) is studied as a model compound for the development of new IR pulse schemes with possible applicability to biomolecules. Anharmonic vibrational modes of MB are calculated on different level (MP2, SCS, CCSD(T) with…
Miniaturizing and integrating atomic vapor cells is widely investigated for the purposes of fundamental measurements and technological applications such as quantum sensing. Extending such platforms to the realm of molecular physics is a…
Vibrational spectroscopy is a powerful technique to characterize the near-equilibrium dynamics of molecules in the gas- and the condensed-phase. This contribution summarizes efforts from computer-based methods to gain insight into the…
The transition between the gas-, supercritical-, and liquid-phase behaviour is a fascinating topic which still lacks molecular-level understanding. Recent ultrafast two-dimensional infrared spectroscopy experiments suggested that the…
A model for quantum dots is proposed, in which the motion of a few electrons in a three-dimensional harmonic oscillator potential under the influence of a homogeneous magnetic field of arbitrary direction is studied. The spectrum and the…
We consider the description of a Fermi gas of free electrons given by the Boltzmann--Fermi--Dirac equation, and aim at providing a precise mathematical understanding of the Fermi ground state and its first-order approximation of excited…
At room temperature, low frequency vibrations at far-infrared frequencies are thermally excited ($k_B T > h \nu$) and not restricted to harmonic fluctuations around a single potential energy minimum. For folded proteins, these intrinsically…
Machine learning has revolutionized the high-dimensional representations for molecular properties such as potential energy. However, there are scarce machine learning models targeting tensorial properties, which are rotationally covariant.…
Radial mechanical modes of miniature disk-shaped resonators are promising candidates for probing the ultra-high-frequency rheological properties of liquids. However, the lack of an analytical fluid-structure model hinders the inference of…
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…
While linear molecules in their vibrational ground state cannot carry angular momentum around their symmetry axis, the presence of vibrational excitations can induce deformations away from linearity and therefore also allow angular momentum…
We analyze the excitation spectrum of a three-dimensional(3D) Bose-Fermi mixture with tunable resonant interaction parameters and high hyperfine spin multiplets. We focus on a 3-particle vertex describing fermionic and bosonic atoms which…
We discuss an algebraic treatment of three-body systems in terms of a U(7) spectrum generating algebra. In particular, we develop the formalism for nonlinear configurations and present an algebraic description of vibrational and rotational…
A combined approach that uses the vibrational self-consistent field (VSCF) and vibrational configuration interaction (VCI) method together with the semiclassical instanton theory was developed to study vibrational tunneling spectra of…
The precise theoretical determination of the geometrical parameters of molecules at the minima of their potential energy surface and of the corresponding vibrational properties are of fundamental importance for the interpretation of…
Molecular dynamics simulations were carried out to test the thermodynamic theory of weakly excited, two-dimensional granular systems [Hayakawa and Hong, Phys. Rev. Lett. 78, 2764 (1997)], where granular materials are viewed as a collection…
We create atom-molecule superpositions in a Bose-Fermi mixture of Rb-87 and K-40 atoms. The superpositions are generated by ramping an applied magnetic field near an interspecies Fano-Feshbach resonance to coherently couple atom and…