Related papers: Spectroscopic Interpretation: The High Vibrations …
A simple and yet powerful approach for modeling the structure of endohedrally confined diatomic molecules is introduced. The theory, based on a u(4)+u(3) dynamical algebra, combines u(4), the vibron model dynamical algebra, with a u(3)…
We show that the principal part of the Dirac Hamiltonian in 3+1 dimensions emerges in a semi-classical approximation from a construction which encodes the kinematics of quantum gravity. The construction is a spectral triple over a…
We develop a fully quantum mechanical methodology to describe the static properties and the dynamics of a single anharmonic vibrational mode interacting with a quantized infrared cavity field in the strong and ultrastrong coupling regimes.…
In this work we report a computational study of the vibrational features of four different nucleobases employing the divide-and-conquer semiclassical initial value representation molecular dynamics method. Calculations are performed on…
The fast dynamics of molecular polaritonics is scrutinized theoretically through the implementation of two-dimensional spectroscopy protocols. We derive conceptually simple and computationally efficient formulas to calculate two-dimensional…
Quantum computing has the potential to reduce the computational cost required for quantum dynamics simulations. However, existing quantum algorithms for coupled electron-nuclear dynamics simulation either require fault-tolerant devices, or…
The classical walking behaviors of a single atom in an amplitude-modulated standing wave lattice beyond the internal dynamics are investigated. Based on a simple effective model, we identify a diversity of dynamic regimes of atomic motion…
Vibrational degrees of freedom in trapped-ion systems have recently been gaining attention as a quantum resource, beyond the role as a mediator for entangling quantum operations on internal degrees of freedom, because of the large available…
The even cadmium isotopes near the neutron midshell have long been considered good examples of vibrational nuclei. However, the vibrational nature of these nuclei has been questioned based on E2 transition rates that are not consistent with…
We report the experimental implementation of the Dicke model in the semiclassical approximation, which describes a large number of two-level atoms interacting with a single-mode electromagnetic field in a perfectly reflecting cavity. This…
We consider the motion of a particle on a surface which is a small perturbation of the standard sphere. One may qualitatively describe the motion by means of a precessing great circle of the sphere. The observation is employed to derive a…
Microscopic energy density functionals (EDF) have become a standard tool for nuclear structure calculations, providing an accurate global description of nuclear ground states and collective excitations. For spectroscopic applications this…
The reduced dynamics of an atomic qubit coupled both to its own quantized center of mass motion through the spatial mode functions of the electromagnetic field, as well as the vacuum modes, is calculated in the influence functional…
The multilayer multiconfiguration time-dependent Hartree method is employed to study vibrationally coupled charge transport in models of single molecule junctions. To increase the efficiency of the simulation method, a representation of the…
We introduce the Anharmonic Oscillator Symmetry Model to describe vibrational excitations in molecular systems exhibiting high degree of symmetry. A systematic procedure is proposed to establish the relation between the algebraic and…
We obtain the deuteron's wave functions as eigenstates of the light-front quantum chromodynamics (QCD) Hamiltonian using a fully relativistic and nonperturbative approach based on light-front quantization, without an explicit confining…
We present a full algebraic derivation of the wavefunctions of the simple harmonic oscillator in coordinate and momentum space. This derivation illustrates the abstract approach to the simple harmonic oscillator by completing the derivation…
Mesoscale phenomena -- involving a level of description between the finest atomistic scale and the macroscopic continuum -- can be studied by a variation on the usual atomistic-level molecular dynamics (MD) simulation technique. In…
Classical density functional theory (cDFT) provides a systematic approach to predict the structure and thermodynamic properties of chemical systems through the single-molecule density profiles. Whereas the statistical-mechanical framework…
We predict a molecular vibrational state in the cold binary fission of $^{252}$Cf using a simple decay cluster model. The Hamiltonian of two even-even fragments in the pole-pole configuration is built in the same fashion as that for the…