Related papers: Normal modes. The true story
Understanding and controlling spin relaxation in molecular qubits is essential for developing chemically tunable quantum information platforms. We present a fully first-principles framework for computing the spin relaxation tensor in a…
We investigate the dynamics of a rotating Morse wave packet, appropriate for a ro-vibrating diatomic molecule. The coupling between vibrational and rotational degrees of freedom is explicated in real position space as well as in phase space…
In this paper, we present a detailed analysis of normal modes based on the Boltzmann equation within the mutilated relaxation time approximation (RTA). Using this linearized effective kinetic description, our analysis encompasses a complete…
A rigorous microscopic theory for the description of quantum-transport phenomena in systems with open boundaries is proposed. We shall show that the application of the conventional Wigner-function formalism to this problem leads to…
We discuss the electronic transport through molecules in the Kondo regime. We concentrate here on the influence of molecular vibrations. Two types of vibrations are investigated: (i) the breathing internal molecular modes, where the…
We consider the generalized rotor Hamiltonians capable of describing quantum systems invariant with respect to symmetry point-groups that go beyond the usual D_2-symmetry of a tri-axial rotor. We discuss the canonical de-quantisation…
Collective motion is a manifestation of emergent phenomena in medium-heavy and heavy nuclei. A relatively large number of constituent nucleons contribute coherently to nuclear excitations (vibrations, rotations) that are characterized by…
A deformable body can rotate even with no angular momentum, simply by changing its shape. A good example is a falling cat, how it maneuvers in air to land on its feet. Here a first principles molecular level example of the phenomenon is…
There are many formalisms to describe quantum decoherence. However, many of them give a non general and ad hoc definition of "pointer basis" or "moving preferred basis", and this fact is a problem for the decoherence program. In this paper…
The paper introduces a simple quantum model to calculate in a general way allowed frequencies and energy levels of the anharmonic oscillator. The theoretical basis of the approach has been introduced in two early papers aimed to infer the…
A generalized version of the rotating-wave approximation for the single-mode spin-boson Hamiltonian is presented. It is shown that performing a simple change of basis prior to eliminating the off-resonant terms results in a significantly…
We discuss algebraic and combinatorial aspects of the Hamiltonian normal form theory. The main objective is to describe the normal form near a singular point purely in terms of the original Hamiltonian, avoiding the normalization procedure.…
We study the translational motions of homonuclear diatomic molecules prepared in their ${}^3\Sigma$ electronic states, deeply bound vibrational states, and rotational states of well-defined parity. The trapping potential arises due to the…
Many types of molecular motors have been proposed and synthesized in recent years, displaying different kinds of motion, and fueled by different driving forces such as light, heat, or chemical reactions. We propose a new type of molecular…
We study a motion of quantum particles, whose properties depend on one coordinate so that they can move freely in the perpendicular direction. A rotationally-symmetric Hamiltonian is derived and applied to study a general interface formed…
An ab initio equation of motion method is introduced to calculate the temperature-dependent mean square vibrational amplitudes which appear in the Debye-Waller factors in x-ray absorption, x-ray scattering, and related spectra. The approach…
In this paper we consider a generalized classical mechanics with fractional derivatives. The generalization is based on the time-clock randomization of momenta and coordinates taken from the conventional phase space. The fractional…
We discuss a geometrical method to define a preferred reference frame for precessing binary systems and the gravitational waves they emit. This minimal-rotation frame is aligned with the angular-momentum axis and fixes the rotation about…
In the present article, we introduce a model to investigate the energy spectrum of a relativistic rotor by considering the Klein-Gordon Hamiltonian. Rotational spectral lines are a signature of homonuclear and heteronuclear systems and play…
The main subject of this work is the study of the problem of the Trojan orbits from a perturbative Hamiltonian perspective. We face this problem by introducing first a novel Hamiltonian formulation, exploiting the well-differentiated…