Related papers: Normal modes. The true story
Torque is ubiquitous in many molecular systems, including collisions, chemical reactions, vibrations, electronic excitations and especially rotor molecules. We present a straightforward theoretical method based on forces acting on atoms and…
The choice of vibrational coordinates is crucial for the accuracy, efficiency, and interpretability of molecular vibrational dynamics and spectra calculations. We explore the recently proposed normalizing-flow vibrational coordinates, which…
A new method describing nuclear rotational motion microscopically is proposed. We extract the rotational Hamiltonian by introducing the intrinsic pair modes which commute with the rotational mode. Thereby the rotational mode is not treated…
This article discusses and explains the Hamiltonian formulation for a class of simple gauge invariant mechanical systems consisting of point masses and idealized rods. The study of these models may be helpful to advanced undergraduate or…
A semiclassical theory of small oscillations is developed for nuclei that are subject to velocity-dependent forces in addition to the usual interatomic forces. When the velocity-dependent forces are due to a strong magnetic field, novel…
The present paper is the first of two articles aimed at constructing $n$-degree-of-freedom Hamiltonian systems by an algebraic approach. In molecular spectroscopy, the construction of vibrational Hamiltonian for strongly excited molecular…
We report an analytical study of the vibrational spectrum of the simplest model of jamming, the soft perceptron. We identify two distinct classes of soft modes. The first kind of modes are related to isostaticity and appear only in the…
Determining the vibrational structure of a molecule is central to fundamental applications in several areas, from atmospheric science to catalysis, fuel combustion modeling, biochemical imaging, and astrochemistry. However, when significant…
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…
We study the dynamics of a quantum or classical particle in a two-dimensional rotating anisotropic harmonic potential. By a sequence of symplectic transformations for constant rotation velocity we find uncoupled normal generalized…
The behavior of coupled harmonic oscillators in systems with specified boundary conditions is typically characterized by resonances whose frequency spectra represent harmonics according to properties of the individual oscillators, the…
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…
We present a systematic understanding of the rotational structure of a long-range (vibrationally highly-excited) diatomic molecule. For example, we show that depending on a quantum defect, the least-bound vibrational state of a diatomic…
Vibrational spectra and normal modes of mechanically stable particle packings in three dimensions are analyzed over a range of compressions, from near the jamming transition, where the packings lose their rigidity, to far above it. At high…
We develop a system consisting of a quantum kicked rotor with an additional degree of freedom. This models a single two-level atom with internal ground and excited states, and it is characterized by its quantum resonances with ballistic…
Representations of the rotation group may be formulated in second-quantised language via Schwinger's transcription of angular momentum states onto states of an effective two-dimensional oscillator. In the case of the molecular asymmetric…
A study of the non linear modes of a two degree of freedom mechanical system with bilateral elastic stop is considered. The issue related to the non-smoothness of the impact force is handled through a regularization technique. In order to…
We describe quantum behaviors of a simple harmonic oscillator, starting from the classical mechanics. By imposing two conditions on the phase points generated from a symplectic algorithm, we obtain discrete energy levels, satisfying $E_n…
A new physical implementation for quantum computation is proposed. The vibrational modes of molecules are used to encode qubit systems. Global quantum logic gates are realized using shaped femtosecond laser pulses which are calculated…
The goal of this contribution is to introduce the Hamiltonian formalism of theoretical mechanics for analysing motion in generic linear and non-linear dynamical systems, including particle accelerators. This framework allows the derivation…