Search results for "atomic physics"

The prediction of the nuclear quadrupole splitting of 119Sn Mössbauer spectroscopy data by scalar relativistic DFT calculations.

2006

The electric field gradient components for the tin nucleus of 34 tin compounds of experimentally known structures and Sn-119 Mossbauer spectroscopy parameters were computed at the scalar relativistic density functional theory level of approximation. The theoretical values of the electric field gradient components were used to determine a quantity, V, which is proportional to the nuclear quadrupole splitting parameter (Delta E). In a subsequent linear regression analysis the effective nuclear quadrupole moment, Q, was evaluated. The value of (11.9 +/- 0.1) fm(2) is a significant improvement over the non-relativistic result of (15.2 +/- 4.4) fm(2) and is in agreement with the experimental val…

Studies of rotational level Λ-doubling by rf-optical double resonance spectroscopy: application to NaK D1Π

1997

Abstract We report here the application of optical-radio frequency double resonance spectroscopy for individual rotational levels of the NaK D 1 Π state. Lambda doubling constant q values for five ν′, J ′ levels are obtained. These data are combined with measurements of dc e - f Stark-mixing-induced changes in optical spectra, and the electric dipole moment d p in the D 1 Π state is determined.

First-principles calculations of oxygen interstitials in corundum: a site symmetry approach

2017

The authors are indebted to R. Vila, A. Popov and A. Lushchik for stimulating discussions. This work was carried out within the framework of the EUROfusion Consortium and received funding from the European Union’s Horizon 2020 Research and Innovation Programme under grant agreement 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission. Support from Latvian National Research Program IMIS2 (2014–2017) is also appreciated. Calculations were carried out using both the Marconi supercomputer system at the Computational Simulation Centre and the Computer Center of St. Petersburg State University.

Hydrogen–carbon, carbon–carbon double rearrangement induced by proximity effect in alkyldiaryl- and triarylmethyl cations

1997

Dissociative charge transfer from highly excited Na Rydberg atoms to vibrationally excited Na2 molecules

2001

Abstract We report the observation of the vibrational dependence of dissociative charge transfer (DCT), Na2(X1Σg+, v″) + Na∗∗(nl) → Na− + Na + Na+, in a single Na/Na2 supersonic beam at low intrabeam collision energies (1.6 meV) using the STIRAP technique for selective vibrational excitation of Na2 in the electronic ground state and time-of-flight mass analysis of the ions. The efficiency of this process increases by about an order of magnitude in the range 13 ≤ v″ ≤ 22. Some perspectives are discussed regarding the implementation of a field-free ion-imaging technique for the detection of ions that will allow the direct determination of the kinetic energy distributions of product negative i…

Raman spectroscopy and crystal-field split rotational states of photoproducts CO and H2 after dissociation of formaldehyde in solid argon.

2012

Raman signal is monitored after 248 nm photodissociation of formaldehyde in solid Ar at temperatures of 9-30 K. Rotational transitions J = 2 ← 0 for para-H(2) fragments and J = 3 ← 1 for ortho-H(2) are observed as sharp peaks at 347.2 cm(-1) and 578.3 cm(-1), respectively, which both are accompanied by a broader shoulder band that shows a split structure. The rovibrational spectrum of CO fragments has transitions at 2136.5 cm(-1), 2138.3 cm(-1), 2139.9 cm(-1), and 2149 cm(-1). To explain the observations, we performed adiabatic rotational potential calculations to simulate the Raman spectrum. The simulations indicate that the splitting of rotational transitions is a site effect, where H(2) …

Application of the open-shell size-consistent self-consistent singles and doubles configuration interaction method to multielectronic transitions in …

2000

The size-consistent self-consistent matrix dressing method has been applied on an open-shell single-configuration reference state. Once the reference state is converged, several low-lying roots can be obtained for the dressed configuration interaction (CI) matrices of appropriate symmetry. The CI matrices were built with a complete-active-space singles and doubles CI method in order to deal properly with multiconfiguration excited states. The vertical ionization and ionization–excitation transitions are obtained from the difference to the closed shell ground-state energy of the neutral molecule. The method has been applied to NH+3 and N+2 using atomic natural orbital basis sets and state-av…

<title>Spatial correlation of latent image centers active in photostimulable luminescence of irradiated doped alkali halides</title>

2001

Changes in the photostimulated luminescence (PSL) spectrum of an electron irradiated KBr:Tl single crystal in relation to the A-luminescence spectrum upon direct activator ion excitation in the A-absorption band (AL) are found. Based on the view about the spatial correlation between F and activator hole centers, it is suggested that anion vacancy is an additional perturbing factor fot he activator (Tl+) excited (p-electron) state which is already subject to the dynamical Jahn-Teller effect. Dependences of the PSL efficiency on activator (In+) concentration in KBr:In samples irradiated by UV-light (6.30-6.45 eV), X-rays (30 keV or electrons (5.6 keV), are compared. The possible role of 6.45 …

Ion motion in salt water flowing under a transverse magnetic field

2012

The problem of ion motion in an electrolyte solution flowing in a thin rectangular duct with velocity VE in the presence of a transverse magnetic field B0 is studied by means of classical mechanics and electrodynamics. Because of Lorentz force on the ions in the electrolyte solution, a so called Faraday voltage appears at the electrodes orthogonal to both the field B0 and the velocity VE. The dynamics of positive and negative ions (cations and anions, respectively) in this classical system is studied by taking into account the viscosity of the fluid and the process of charge accumulation on the opposite walls of the duct. Hydrogen production is seen to take place at one of the electrodes wh…

Spatial separation of atomic states in a laser cooled ion crystal

1999

A laser cooled ion crystal containing several hundred Ca+ ions has been stored in a linear Paul trap. Cooling is provided by a red detund laser at the 4S1/2−4P1/2 resonance transition. A second laser serves for repumping of those ions which decay from the excited 4P1/2 level to the metastable 3D3/2 state. The ions can be additionally excited by a third laser to a long lived metastable 3D5/2 energy level which decouples them from the cooling laser radiation. The light pressure acting upon the laser cooled ions pushes them into the direction of the laser beam. The ions in the metastable 3D5/2 state, however, do not experience any light pressure force and diffuse to the crystal side which poin…