Related papers: A general algebraic model for molecular vibrationa…
Spectroscopy is one of the most accurate probes of the molecular world. However, predicting molecular spectra accurately is computationally difficult because of the presence of entanglement between electronic and nuclear degrees of freedom.…
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…
Atomic vibrations control all thermally activated processes in materials including diffusion, heat transport, phase transformations, and surface chemistry. Recent developments in monochromated, aberration-corrected scanning transmission…
The vibrational properties of two-dimensional phononic crystals are studied with large-scale molecular dynamics simulations and finite element method calculation. The vibrational band structure derived from the molecular dynamics…
This work introduces non-Hermitian position-dependent mass Hamiltonians characterized by complex ladder operators and real, equidistant spectra. By imposing the Heisenberg-Weyl algebraic structure as a constraint, we derive the…
We present an algebraic U(7) model for baryons which encompasses both single-particle and collective forms of quark dynamics. The mass operator by construction preserves the permutation symmetry between identical quarks. The underlying…
Simulation schemes that allow to change molecular representation in a subvolume of the simulation box while preserving the equilibrium with the surrounding introduce conceptual problems of thermodynamic consistency. In this work we present…
We study a quantum-mechanical system of three particles in a one-dimensional box with two-particle harmonic interactions. The symmetry of the system is described by the point group $D_{3d}$. Group theory greatly facilitates the application…
The spectral determinant $D(E)$ of the quartic oscillator is known to satisfy a functional equation. This is mapped onto the $A_3$-related $Y$-system emerging in the treatment of a certain perturbed conformal field theory, allowing us to…
We propose a new method to characterize the spatial distribution of particles' vibrations in solids with much lower computational costs compared to the usual normal mode analysis. We excite the specific vibrational mode in a two dimensional…
Lie-algebraic and quantum-algebraic techniques are used in the analysis of thermodynamic properties of molecules and solids. The local anharmonic effects are described by a Morse-like potential associated with the $su(2)$ algebra. A…
Polyatomic molecules have been identified as sensitive probes of charge-parity violating and parity-violating physics beyond the Standard Model (BSM). For example, many linear triatomic molecules are both laser-coolable and have parity…
We consider a fully quadratic vibronic model Hamiltonian for studying photoinduced electronic transitions through conical intersections. Using a second order perturbative approximation for diabatic couplings we derive an analytical…
Vibrational spectroscopy is a cornerstone technique for molecular characterization and offers an ideal target for the computational investigation of molecular materials. Building on previous comprehensive assessments of efficient methods…
A procedure for calculation of rotation-vibration states of medium sized molecules is presented. It combines the advantages of variational calculations and perturbation theory. The vibrational problem is solved by diagonalizing a…
A unified approach is used to study vibrational properties of periodic systems with first-principles methods and including anharmonic effects. Our approach provides a theoretical basis for the determination of phonon-dependent quantities at…
Cavity dressing of molecular vibrational dynamics expands the role of characteristic vibrations as spectroscopic markers of underlying ultrafast dynamics. Interacting vibrational modes exhibit a pronounced excited state delocalization due…
Harmonic oscillator, in 2-dimensional noncommutative phase space with non-vanishing momentum-momentum commutators, is studied using an algebraic approach. The corresponding eigenvalue problem is solved and discussed.
We present an algebraic approach to the internal structure of baryons in terms of three constituents. We investigate a collective model in which the nucleon is regarded as a rotating and vibrating oblate top with a prescribed distribution…
We present a complete theory of bicircular high-order-harmonic emission from N-fold rotationally symmetric molecules. Using a rotating frame of reference we predict the complete structure of the high-order-harmonic spectra for arbitrary…