Search results for "DIPOLE"
showing 10 items of 982 documents
Analysis of the plasmonic excitations in assemblies of three-dimensional electron clusters
2020
In the quest to built novel metamaterials with unique optical properties, three-dimensional assemblies of metal clusters and nanoparticles are gathering significant attention. Organized geometries, such as tetrahedra and icosahedra, can be built, for example, by using DNA strands or virus capsids as templates. Here we use the jellium model and time-dependent density functional theory to study the plasmonic resonances in different arrangements of eight-electron clusters from the electronic perspective. A charge transfer ratio index based on the induced transition densities is used to quantify the charge transfer nature of the excitations at different energies. We vary the size, shape, and in…
Development of the Hamiltonian and transition moment operators of symmetric top molecules using the O(3)⊃C∞v⊃C3v group chain
2005
Abstract We present a development of the Hamiltonian, dipole moment, and polarizability operators for XY3Z molecules. These rovibrational operators are written with the aid of a tensorial formalism derived from the one already used in Dijon and adapted to the XY3Z symmetric tops in a recent paper [A. El Hilali, V. Boudon, M. Loete, J. Mol. Spectrosc. 234 (2005) 166–174]. We use the O (3) ⊃ C∞v ⊃ C3v group chain. Expressions for the matrix elements are derived for these operators.
Spectroscopy of XY5Z (C4v) Molecules: Development of the Hamiltonian and the Transition Moment Operators Using a Tensorial Formalism
2000
We present a development of the Hamiltonian, dipole moment, and polarizability operators of XY(5)Z (C(4v)) molecules using a tensorial formalism derived from the one developed previously in Dijon for XY(6) molecules. These operators are involved in the calculation of the energies and intensities of rovibrational transitions and are essential for spectrum simulations. Expressions for the matrix elements are derived for all these operators. Copyright 2000 Academic Press.
Optimal geometry for efficient loading of an optical dipole trap
2009
One important factor which determines efficiency of loading cold atoms into an optical dipole trap from a magneto-optical trap is the distance between the trap centers. By studying this efficiency for various optical trap depths (2--110 mK) we find that for optimum dipole trap loading, longitudinal displacements up to 15 mm are necessary. An explanation for this observation is presented and compared with other work and a simple analytical formula is derived for the optimum distance between the trap centers.
A Chemical Index Inspired by Biological Plastic Evolution: Valence-Isoelectronic Series of Aromatics
2004
Plastic evolution is a new perspective of the evolutionary process conjugating the effect, on one hand, of the acquired characters and, on the other, of the relationships that emerge among the principle of evolutionary indeterminacy, the principle of morphologic determination, and natural selection. Plastic evolution is applied to design the coordination index Ic. Ic is used to characterize the valence-isoelectronic series of cyclopentadiene, benzene, toluene, and styrene and compared to charge indices for dipole moment. The parameters needed to calculate Ic are minus the standard enthalpy of formation T, molecular surface area S, and molecular weight W. With the exception of the O heteromo…
Hyperfine structure constants of the CaII states 4s 2 S 1/2 and 4p 2 P 1/2, 3/2 and the nuclear quadrupole moment of43Ca
1991
The hyperfine structure splittings of the 4s 2 S 1/2 → 4p 2 P 1/2, 3/2 transitions in43CaII have been measured by fast ion beam collinear laser spectroscopy. The resonant laser interaction was observed using non-optical detection based on optical ground state depopulation pumping, state selective neutralization and charge state separated particle counting. The extracted magnetic dipole hyperfine structure constants for43CaA(2 S 1/2)=−805(2) MHz,A(2 P 1/2)=−145.5(1.0) MHz andA(2 P 3/2)=−31.9(0.2) MHz are in excellent agreement with relativistic many body perturbation theory predictions available for this alkali-like ion. The combined results are used to evaluate the semi-empirical analysis m…
On the microwave background anisotropy produced by big voids in open universes
1996
The Tolman-Bondi solution of the Einstein equations is used in order to model the time evolution of the void observed in Bo\"otes. The present density contrast of the central region ($\sim -0.75$) and its radius ($\sim 30h^{-1} \ Mpc$) are fixed, while the density parameter of the Universe, the amplitude of the density contrast inside the void wall, the width of this wall and the distance from the void centre to the Local Group are appropriately varied. The microwave background anisotropy produced by Bo\"otes-like voids is estimated for a significant set of locations. All the voids are placed far from the last scattering surface. It is shown that the anisotropy generated by these voids stro…
Hyperfine structure of the 3d34s4p6G multiplet of atomic vanadium
2011
The spectrum of atomic vanadium was recorded using high-resolution Fourier transform spectroscopy with optical bandpass filters in the wavelength range from 360 to 500 nm. Vanadium atoms are produced and excited in a hollow-cathode discharge. The main focus lies on the determination of the magnetic dipole hyperfine constants A of the lowest multiplet of odd parity, the 6G of the configuration 3d34s4p, the hyperfine structure (HFS) of which was unknown to date. The HFS of the lines, connecting this multiplet with the multiplets 3d34s5s 6F, 3d34s4d 6H and 3d34s4d 6G, was observed and analysed. New results are presented for all six levels belonging to 3d34s4p 6G as well as for seven high-lying…
Doppler free ?dark resonances? for hyperfine measurements and isotope shifts in Ca+ isotopes in a Paul trap
1995
We have observed “dark resonances” in theA-type level structure, formed by the 4S1/2 ground state, the 4P1/2 excited state and the low lying metastable 3D3/2 state in the Calcium ion, confined in a Paul radio-frequency trap. These Doppler-free and potentially very narrow resonances were used to determine the magnetic dipole hyperfine interaction constant A for the 4P1/2 and 3D3/2 state of43Ca+, giving −142(8) MHz and −48.3(1.6) MHz, respectively. From measurements of the P-D (E1) and S-D (E2) transition wavelength in a mixture of43Ca+ and40Ca+ we determined the isotope shifts of these lines.
Fourth-order relativistic corrections to electrical first-order properties using direct perturbation theory.
2011
In this work, we present relativistic corrections to first-order electrical properties obtained using fourth-order direct perturbation theory (DPT4) at the Hartree-Fock level. The considered properties, i.e., dipole moments and electrical-field gradients, have been calculated using numerical differentiation techniques based on a recently reported DPT4 code for energies [S. Stopkowicz and J. Gauss, J. Chem. Phys. 134, 064114 (2011)]. For the hydrogen halides HX, X=F, Cl, Br, I, and At, we study the convergence of the scalar-relativistic contributions by comparing the computed DPT corrections to results from spin-free Dirac-Hartree-Fock calculations. Furthermore, since in the DPT series spin-…