Related papers: Normal modes. The true story
A rigorous quantum description of molecular dynamics with a particular emphasis on internal observables is developed accounting explicitly for kinetic couplings between nuclei and electrons. Rotational modes are treated in a genuinely…
Based on Bohr model, we have presented a general formalism describing the collective motion for any deformed system, in which the collective Hamiltonian is expressed as vibrations in the body-fixed frame, rotation of whole system around the…
A numerical simulation of vibrational excitation of molecules was devised, and used to excite computational models of common molecules into a prescribed, pure, normal vibration mode in the ground electronic state, with varying, controlable…
This article covers few selected aspects of quantum theory of molecular rotations and vibrations. Triatomic molecules are the simplest systems, which show qualitative characteristics of larger polyatomic molecules. On the minimal example of…
Understanding the molecular vibrations underlying each of the unknown infrared emission (UIE) bands (such as those found at 3.3, 3.4, 3.5, 6.2, 6.9, 7.7, 11.3, 15.8, 16.4, 18.9 mm) observed in or towards astronomical objects is a vital link…
The angular momentum of molecules, or, equivalently, their rotation in three-dimensional space, is ideally suited for quantum control. Molecular angular momentum is naturally quantized, time evolution is governed by a well-known Hamiltonian…
We study a general problem of the translational/rotational/vibrational/electronic dynamics of a diatomic molecule exposed to an interaction with an arbitrary external electromagnetic field. The theory developed in this paper is relevant to…
This work is devoted to a systematic exposition of the dynamics of a rigid body, considered as a system with kinematic constraints. Having accepted the variational problem in accordance with this, we no longer need any additional postulates…
The intraband electromagnetic transitions in the framework of collective Hamiltonian for chiral and wobbling modes are calculated. By going beyond the mean field approximation on the orientations of rotational axis, the collective…
Recent advances in levitated optomechanics provide new perspectives for the use of rotational degrees of freedom for the development of quantum technologies as well as for testing fundamental physics. As for the translational case, their…
A relativistically invariant scheme for the description of excited states in a one-kink sector is formulated. The normal oscillations of fluctuations against the background of a moving kink are determined. Zero mode of these oscillations is…
We discuss in detail a well known method for obtaining the frequencies of the normal modes of coupled harmonic oscillators that is based on the simultaneous diagonalization of two symmetric matrices. We apply it to some simple illustrative…
A general theory of electronic excitations in aggregates of molecules coupled to intramolecular vibrations and the harmonic environment is developed for simulation of the third-order nonlinear spectroscopy signals. The model is applied in…
Decomposition of atomic motion into individual normal modes has led to remarkable success in microscopically understanding thermal properties and thermodynamics in simple solids. We start this chapter with an example of decomposing atomic…
An algebraic model in terms of a local harmonic boson realization was recently proposed to study molecular vibrational spectra [Zhong-Qi Ma et al., Phys. Rev. A 53, 2173 (1996)]. Because of the local nature of the bosons the model has to…
We extract the dynamics implicit in an algebraic fitted model Hamiltonian for the deuterium chromophore's vibrational motion in the molecule CDBrClF. The original model has 4 degrees of freedom, three positions and one representing…
We report on the possibilities of using the method of normal fundamental systems for solving some problems of oscillation theory. Large elastic dynamical systems with continuous and discrete parameters are considered, which have many…
Decomposition of the free rigid body Hamiltonian into a "main problem" and a perturbation term provides an efficient integration scheme that avoids the use of elliptic functions and integrals. In the case of short-axis-mode rotation, it is…
Three exactly solvable Hamiltonians of complex structure are studied in the framework of a semi-classical approach. The quantized trajectories for intrinsic coordinates correspond to energies which may be classified in collective bands. For…
The states of a planar oscillator are separated to a vibrational mode, containing a zero-point energy, and a rotational mode without the zero-point energy, but having a conserved angular momentum. On the basis of the analysis of properties…