Search results for "Anharmonicity"

Insights on the coupling between vibronically active molecular vibrations and lattice phonons in molecular nanomagnets

2021

Spin-lattice relaxation is a key open problem to understand the spin dynamics of single-molecule magnets and molecular spin qubits. While modelling the coupling between spin states and local vibrations allows to determine the more relevant molecular vibrations for spin relaxation, this is not sufficient to explain how energy is dissipated towards the thermal bath. Herein, we employ a simple and efficient model to examine the coupling of local vibrational modes with long-wavelength longitudinal and transverse phonons in the clock-like spin qubit [Ho(W$_5$O$_{18}$)$_2$]$^{9-}$. We find that in crystals of this polyoxometalate the vibrational mode previously found to be vibronically active at …

Nonlinear excitations in a compressible quantum Heisenberg chain

2000

Abstract We investigate, both analytically and numerically, nonlinearly coupled magnetic and elastic excitations of compressible Heisenberg chains. From a shallow water wave treatment of perturbation terms, one can derive two types of coupled equations which are coupled Boussinesq and nonlinear Schrodinger (NLS) equations and coupled Boussinesq and NLS-like equations. We also simulate collisions between magnetic and elastic solitons in the compressible Heisenberg chain when a nonlinearized approach is performed to deal with the magnetic modes in the presence of harmonic as well as anharmonic interactions. Finally, from a fast Fourier transform (FFT) algorithm, the dynamical structure factor…

Quantization as a consequence of the group law

1982

A method of gemetric quantization which solely makes use of the structure of the symmetry group of the dynamical system is proposed; the classical limit is discussed along similar lines. The method is applied to two examples, the free particle and the harmonic oscillator.

2008

Penning traps offer unique possibilities for storing, manipulating and investigating charged particles with high sensitivity and accuracy. The widespread applications of Penning traps in physics and chemistry comprise e.g. mass spectrometry, laser spectroscopy, measurements of electronic and nuclear magnetic moments, chemical sample analysis and reaction studies. We have developed a method, based on the Green's function approach, which allows for the analytical calculation of the electrostatic properties of a Penning trap with arbitrary electrodes. The ansatz features an extension of Dirichlet's problem to nontrivial geometries and leads to an analytical solution of the Laplace equation. As…

Semiquantum molecular dynamics simulation of thermal properties and heat transport in low-dimensional nanostructures

2012

We present a detailed description of the semi-quantum approach to the molecular dynamics simulation of stochastic dynamics of a system of interacting particles. Within this approach, the dynamics of the system is described with the use of classical Newtonian equations of motion in which the quantum effects are introduced through random Langevin-like forces with a specific power spectral density (the color noise). The color noise describes the interaction of the molecular system with the thermostat. We apply this technique to the simulation of the thermal properties of different low-dimensional nanostructures. Within this approach, we simulate the specific heat and heat transport in carbon n…

Oscillations of a highly discrete breather with a critical regime

2000

We analyze carefully the essential features of the dynamics of a stationary discrete breather in the ultimate degree of energy localization in a nonlinear Klein-Gordon lattice with an on-site double-well potential. We demonstrate the existence of three different regimes of oscillatory motion in the breather dynamics, which are closely related to the motion of the central particle in an effective potential having two nondegenerate wells. In given parameter regions, we observe an untrapped regime, in which the central particle executes large-amplitude oscillations from one to the other side of the potential barrier. In other parameter regions, we find the trapped regime, in which the central …

Low-lying collective states inRu98–106isotopes studied using a microscopic anharmonic vibrator approach

2003

Anharmonic features of the low-lying collective states in the $^{98--106}\mathrm{Ru}$ isotopes have been investigated systematically by using the microscopic anharmonic vibrator approach (MAVA). MAVA is based on a realistic microscopic $G$-matrix Hamiltonian, only slightly renormalized in the adopted large realistic single-particle spaces. This Hamiltonian is used to derive equations of motion for the mixing of one- and two-phonon degrees of freedom starting from collective phonons of the quasiparticle random-phase approximation. Analysis of the level energies and the electric quadrupole decays of the two-phonon type of states indicates that $^{100}\mathrm{Ru}$ can be interpreted as being a…

Microscopic anharmonic vibrator approach for beta decays

2007

Abstract We formulate a microscopic description of charge-changing excitations, including dynamical mixture of one- and two-phonon states. The present formalism generalizes our previous microscopic anharmonic vibrator approach (MAVA), designed to treat charge-conserving two- and four-quasiparticle degrees of freedom and their mixing. In the present formalism, the proton–neutron MAVA, pnMAVA, the main building blocks are the quasiparticle random-phase approximation (QRPA) phonons in the charge-conserving channels, and the proton–neutron QRPA (pnQRPA) phonons in the charge-changing channels. The QRPA and pnQRPA equations are directly used in deriving the equations of motion for two-phonon sta…

Two-neutrino double-beta decay of76Ge in an anharmonic vibrator approach

2009

We have calculated the nuclear matrix element of two-neutrino double-beta (2???) decay of 76Ge by using the proton?neutron microscopic anharmonic vibrator approach (pnMAVA). In the pnMAVA the wavefunctions of the intermediate 1+ states in 76As have a one-phonon part containing the proton?neutron QRPA (pnQRPA) phonons and a two-phonon part built by coupling the pnQRPA and charge-conserving QRPA phonons. We compare the measured GT? and GT+ Gamow?Teller strength functions with the measured ones. The two-phonon components of the pnMAVA wavefunctions cause the pnQRPA strength to redistribute over a finite energy range. This has only a small effect on the value 2??? nuclear matrix element. This s…

QUANTIZATION CONDITION FOR HIGHLY EXCITED STATES

1999

We develop a quantization condition for the excited states of simple quantum-mechanical models. The approach combines perturbation theory for the oscillatory part of the eigenfunction with a rational approximation to the logarithmic derivative of the nodeless part of it. We choose one-dimensional anharmonic oscillators as illustrative examples.