Search results for "atomic physics"
showing 10 items of 5530 documents
Prediction of water's isotropic nuclear shieldings and indirect nuclear spin–spin coupling constants (SSCCs) using correlation‐consistent and polariz…
2009
Density functional theory (DFT) was used to estimate water's isotropic nuclear shieldings and indirect nuclear spin-spin coupling constants (SSCCs) in the Kohn-Sham (KS) complete basis set (CBS) limit. Correlation-consistent cc-pVxZ and cc-pCVxZ (x = D, T, Q, 5, and 6), and their modified versions (ccJ-pVxZ, unc-ccJ-pVxZ, and aug-cc-pVTZ-J) and polarization-consistent pc-n and pcJ-n (n = 0, 1, 2, 3, and 4) basis sets were used, and the results fitted with a simple mathematical formula. The performance of over 20 studied density functionals was assessed from comparison with the experiment. The agreement between the CBS DFT-predicted isotropic shieldings, spin-spin values, and the experimenta…
The route to high accuracy in ab initio calculations of Cu quadrupole-coupling constants.
2012
We report nonrelativistic and scalar-relativistic coupled-cluster calculations of the copper quadrupole-coupling constants for eleven small copper-containing compounds. It is shown to be necessary to treat both electron-correlation and scalar-relativistic effects on the same footing even for a qualitatively correct description, because both effects are significant and are strongly coupled in the case of Cu electric-field gradients. We show that the three scalar-relativistic schemes employed in the present study--the leading order of direct perturbation theory, the spin-free exact two-component theory in its one-electron variant, and the spin-free Dirac-Coulomb approach--provide accurate tre…
Levels of 186Re populated in thermal neutron capture reaction
2015
Levels of 186 Re have been studied in the thermal neutron capture reaction with an enriched 185 Re target. Evaluation of spectrum measured with GAMS5 allowed to obtain energies and intensities of more than 500 γ -lines assigned to 186 Re. Most of the obtained transitions have been placed in the model-independent level scheme of the doubly odd 186 Re nucleus, taking into account the available data of earlier experiments as well as the results of recent 187 Re(p, d )186 Re reaction measurements. Structure of the 186 Re low-lying levels has been analysed in terms of the particle-plus-rotor coupling model.
Absence of structure in the $^{20,22}$Ne + $^{118}$Sn quasi-elastic barrier distribution
2005
Abstract Motivated by the extreme deformation parameters of the projectile, we have measured quasi-elastic scattering for 20 Ne + 118 Sn. In contrast to calculations based on known collective states, the experimental barrier distribution is structureless. A comparison with the system 22 Ne + 118 Sn shows that this smoothing is unlikely to be due to nucleon- or α -transfer channels, and is more likely to be due to coupling to many other weak channels.
The temperature dependence of vibronic lineshapes: linear electron-phonon coupling.
2014
We calculate the effect of a linear electron-phonon coupling on vibronic transitions of dye molecules of arbitrary complexity. With the assumption of known vibronic frequencies (for instance from quantum-chemical calculations), we give expressions for the absorption or emission lineshapes in a second-order cumulant expansion. We show that the results coincide with those obtained from generalized Redfield theory if one uses the time-local version of the theory and applies the secular approximation. Furthermore, the theory allows to go beyond the Huang-Rhys approximation and can be used to incorporate Dushinsky effects in the treatment of the temperature dependence of optical spectra. We cons…
Spin-orbit, radial, and angular coupling effects in the NaRb excited states
2009
Spin-orbit, radial, and angular nonadiabatic matrix elements between the lowest excited states of NaRb are evaluated by quasi-relativistic ab initio methods, and the results accompanied by potential curves, permanent and transition moments are compared with experimental data and preceding calculations.
Quantum capture of charged particles by rapidly rotating symmetric top molecules with small dipole moments: analytical comparison of the fly-wheel an…
2013
The rate coefficients for capture of charged particles by spherical top molecules, which by isotopic substitution become symmetric top molecules with small dipole moment, are expressed analytically for the two limiting cases of weak coupling of the molecular angular momentum to the collision axis (dominating Coriolis interaction, the fly-wheel [FW] approximation) and strong coupling (negligible Coriolis interaction, the adiabatic channel [AC] approximation). The comparison leads to relations between rate coefficients for ultra-low (FW) and moderate (AC) temperatures and defines the range of parameters for which the analytical expressions become insufficient and a numerical treatment is nece…
Relative Transition Probability Measurements for Prominent Infrared Spectral Lines of NI
2002
Applying a high-current wall-stabilized arc operated either in helium or in argon always with some admixtures of nitrogen, relative transition probabilities for more than 100 individual spectral lines (fine structure components) have been measured. The studied lines belong mainly to the 3p–3d and 3p–4s transition arrays. Ten lines of the measured set are intersystem transitions. Our data are compared with other experimental results (for about one half of the studied set there are available), with evaluated on the basis of the LS coupling scheme, with semiempirical data, and with recent CIV3 calculations. Some of our results are compared also with experimental data for the next member of the…
Optomechanical Rydberg-atom excitation via dynamic Casimir-Polder coupling
2014
We study the optomechanical coupling of a oscillating effective mirror with a Rydberg atomic gas, mediated by the dynamical atom-mirror Casimir-Polder force. This coupling may produce a near-field resonant atomic excitation whose probability scales as $\propto (d^2\;a\;n^4\;t)^2/z_0^8$, where $z_0$ is the average atom-surface distance, $d$ the atomic dipole moment, $a$ the mirror's effective oscillation amplitude, $n$ the initial principal quantum number, and $t$ the time. We propose an experimental configuration to realize this system with a cold atom gas trapped at a distance $\sim 2\cdot10 \, \mu$m from a semiconductor substrate, whose dielectric constant is periodically driven by an ext…
Stability of chiral geometry in the odd–odd Rh isotopes: spectroscopy of 106Rh
2004
International audience; 136 P. Joshi et al. / Physics Letters B 595 (2004) 135–142AbstractThe nucleus 106Rh was populated using the reaction 96Zr(13C, p2n) at a beam energy of 51 MeV. γ -ray transitions wereidentified using the EUROBALL-IV γ -ray spectrometer and the DIAMANT charged particle array. The yrast band, which isbased upon a πg−19/2 ⊗ νh11/2 configuration, has been extended to I π = (22−). A new I = 1 band has been identified whichresides ∼ 300 keV above the yrast band. Core–quasiparticle coupling model calculations show reasonably good agreement withthe data. The properties of the two pairs of strongly coupled bands are consistent with a chiral interpretation for these states. 2…