Related papers: Normal modes. The true story
We investigate the suitability of natural orbitals as a basis for describing many-body excitations. We analyze to which extend the natural orbitals describe both bound as well as ionized excited states and show that depending on the…
A family of orbiting resonances in molecular scattering is globally described by using a single pole moving in the complex angular momentum plane. The extrapolation of this pole at negative energies gives the location of the bound states.…
We use perturbation theory and bifurcation theory to analyze the dynamical behavior of resonances, associated to a model describing a particle moving within a ring around a celestial object. The central body is modeled as a homogeneous…
We demonstrate that the dynamics of an open quantum system can be calculated efficiently and with predefined error, provided a basis exists in which the system-environment interactions are local and hence obey the Lieb-Robinson bound. We…
We theoretically investigate how one can achieve a preferred rotational direction for the case of a simple electrostatic motor. The motor is composed by a rotor and two electronic reservoirs. Electronic islands on the rotor can exchange…
An alternative, the VW transformation, is proposed to replace the Wilson GF method for calculating molecular vibration frequencies and normal modes. The VW transformation yields precisely the same eigenmodes and and eigenfrequencies that…
We formulate a quantum phase space for rotational and nuclear-spin states of rigid molecules. For each nuclear spin isomer, we re-derive the isomer's admissible angular momentum states from molecular geometry and nuclear-spin data,…
Hamiltonian mechanics describes the evolution of a system through its Hamiltonian. The Hamiltonian typically also represents the energy observable, a Noether-conserved quantity associated with the time-invariance of the law of evolution. In…
Describing the dynamics of nuclei in molecules requires a potential energy surface, which is traditionally provided by the Born-Oppenheimer or adiabatic approximation. However, we also need to assign masses to the nuclei. There, the…
Vibrational states of the formic acid molecule are converged using the GENIUSH-Smolyak approach and the potential energy surface taken from [D. Tew and W. Mizukami, J. Phys. Chem. A 120, 9815 (2016)]. The quantum nuclear motion is described…
Recent works on three-planet mean motion resonances (MMRs) have highlighted their importance for understanding the details of the dynamics of planet formation and evolution. While the dynamics of two-planet MMRs are well understood and…
The building blocks of Nature, namely atoms and elementary particles, are described by quantum mechanics. This fundamental theory is the ground on which physicists have built their major mathematical models [1]. Today, the unique features…
The internal motion in a molecule, in which isomerization processes occur, is characterized by two essentially different modes of motion - oscillatory and rotational. The quantum equation of motion which describes an isomerization process…
The response of a test particle, both for the free case and under the harmonic oscillator potential, to circularly polarized gravitational waves is investigated in a noncommutative quantum mechanical setting. The system is quantized…
A two interacting rotors Hamiltonian is alternatively treated semi-classically and by a Dyson boson expansion method. The linearized equations of motion lead to dispersion equation for the wobbling frequency. One defined a ground band with…
Simulating vibrational dynamics is essential for understanding molecular structure, unlocking useful applications such as vibrational spectroscopy for high-fidelity chemical detection. Quantum algorithms for vibrational dynamics are…
We review the current status of the problem of constructing classical field theory solutions describing stationary vortex rings in Minkowski space in 3+1 dimensions. We describe the known up to date solutions of this type, such as the…
Several completely integrable, indeed solvable, Hamiltonian many-body problems are exhibited, characterized by Newtonian equations of motion ("acceleration equal force"), with linear and cubic forces, in N-dimensional space (N being an…
From the semi-empirical formalisms of Bohr-Mottelson, a new model, based on the effect of beta- and gamma- head energies and the variable moment of inertia, was developed to calculate the ground state rotational band of almost all deformed…
Studies of quantum thermal effects on molecular excitation dynamics have often relied on oversimplified models, such as energy eigenstates or low-dimensional potentials, which fail to capture the complexity of real chemical systems. In…