Search results for "ROTATIONAL"
showing 10 items of 381 documents
top data system (TDS) software for spectrum simulation of asymmetric molecules
2005
Abstract The D 2 h TDS ( D 2 h Top Data System) program suite has been developed with the aim of studying any rovibrational band or polyad of X 2 Y 4 ( D 2 h ) asymmetric top molecules. It is based on the same principles as similar programs from our group already released for various molecular symmetries ( T d , O h , C 4 v , C 2 v ). We work in the O ( 3 ) ⊃ D 2 h chain and this choice has consequences on the method used to specify the input parameters of the programs for Hamiltonian and transition moment calculations. Two examples concerning the ν 12 and ν 2 bands of the C 2 H 4 molecule are presented. This suite consists of a series of FORTRAN programs called by a script. The whole packa…
On the Measurements of Numerical Viscosity and Resistivity in Eulerian MHD Codes
2016
We propose a simple ansatz for estimating the value of the numerical resistivity and the numerical viscosity of any Eulerian MHD code. We test this ansatz with the help of simulations of the propagation of (magneto)sonic waves, Alfven waves, and the tearing mode instability using the MHD code Aenus. By comparing the simu- lation results with analytical solutions of the resistive-viscous MHD equations and an empirical ansatz for the growth rate of tearing modes we measure the numerical viscosity and resistivity of Aenus. The comparison shows that the fast-magnetosonic speed and wavelength are the characteristic velocity and length, respectively, of the aforementioned (relatively simple) syst…
On the maximum magnetic field amplification by the magnetorotational instability in core-collapse supernovae
2016
Whether the magnetorotational instability (MRI) can amplify initially weak magnetic fields to dynamically relevant strengths in core collapse supernovae is still a matter of active scientific debate. Recent numerical studies have shown that the first phase of MRI growth dominated by channel flows is terminated by parasitic instabilities of the Kelvin-Helmholtz type that disrupt MRI channel flows and quench further magnetic field growth. However, it remains to be prop- erly assessed by what factor the initial magnetic field can be amplified and how it depends on the initial field strength and the amplitude of the perturbations. Different termination criteria leading to different estimates of…
Stability of an electromagnetically levitated spherical sample in a set of coaxial circular loops
2005
This paper presents a theoretical study of oscillatory and rotational instabilities of a solid spherical body, levitated electromagnetically in axisymmetric coils made of coaxial circular loops. We apply our previous theory to analyze the static and dynamic stability of the sample depending on the ac frequency and the position of the sample in the coils for several simple configurations. We introduce an original analytical approach employing a gauge transformation for the vector potential. First, we calculate the spring constants that define the frequency of small-amplitude oscillations. For static stability, the spring constants must be positive. Dynamic instabilities are characterized by …
State-selective chirped adiabatic passage on dynamically laser-aligned molecules
2005
We show that rovibrational state selectivity can be achieved by chirped adiabatic passage of molecules that are adiabatically aligned by a nonresonant laser field. We develop the tools to design the appropriate frequency and amplitude modulations that allow us to select a given route in the Hilbert space that leads to a final complete excitation of the chosen state, by infrared or by Raman processes. This method allows us to select a given vibrational state in a well-defined rotational $J$ state.
Quantum dots in magnetic fields: Unrestricted symmetries in the current spin-density functional formalism
1999
We apply the current spin-density functional formalism (CSDFT) of Vignale and Rasolt to two-dimensional quantum dots in magnetic fields. Avoiding any spatial symmetry restrictions of the solutions, we find that a broken rotational symmetry of the electronic charge density can occur in high magnetic fields.
Hyperfine structure in the rotational spectra of trans-formic acid: Lamb-dip measurements and quantum-chemical calculations
2010
Context. Formic acid, HCOOH, is the simplest organic acid and the first that has been identified in the interstellar medium. Its astrophysical relevance has motivated this spectroscopic study. Aims. The aim of this investigation is to provide very accurate rest frequencies for the trans isomer of HCOOH as well as to improve the spectroscopic and hyperfine parameters available in the literature for this molecule. Methods. The Lamb-dip technique has been exploited in order to record the rotational spectrum of trans-HCOOH at sub-Doppler resolution in the millimeter- and submillimeter-wave frequency ranges and, when possible, to resolve the hyperfine structure due to the hydrogen nuclei. THz me…
Which Reaches the Bottom First?
2008
A well-known classroom demonstration involves the rolling of hollow and solid objects down an incline.1 The fact that the objects roll at different rates can be used as a starting point in introducing students to rotational dynamics and rotational kinetic energy. In this paper we describe a simple quantitative version of the demonstration that is suitable for use as a laboratory experiment.
Vibrational Excitation Hindering an Ion-Molecule Reaction: The c−C3H2+−H2 Collision Complex
2020
Experiments within a cryogenic 22-pole ion trap have revealed an interesting reaction dynamic phenomenon, where rovibrational excitation of an ionic molecule slows down a reaction with a neutral partner. This is demonstrated for the low-temperature hydrogen abstraction reaction $\mathrm{c}\text{\ensuremath{-}}{\mathrm{C}}_{3}{{\mathrm{H}}_{2}}^{+}+{\mathrm{H}}_{2}$, where excitation of the ion into the ${\ensuremath{\nu}}_{7}$ antisymmetric C-H stretching mode decreased the reaction rate coefficient toward the products $\mathrm{c}\text{\ensuremath{-}}{\mathrm{C}}_{3}{{\mathrm{H}}_{3}}^{+}+\mathrm{H}$. Supported by high-level quantum-chemical calculations, this observation is explained by th…
Numerical 3+1 general relativistic magnetohydrodynamics: a local characteristic approach
2005
We present a general procedure to solve numerically the general relativistic magnetohydrodynamics (GRMHD) equations within the framework of the 3+1 formalism. The work reported here extends our previous investigation in general relativistic hydrodynamics (Banyuls et al. 1997) where magnetic fields were not considered. The GRMHD equations are written in conservative form to exploit their hyperbolic character in the solution procedure. All theoretical ingredients necessary to build up high-resolution shock-capturing schemes based on the solution of local Riemann problems (i.e. Godunov-type schemes) are described. In particular, we use a renormalized set of regular eigenvectors of the flux Jac…