Search results for "Quantum defect"
showing 10 items of 10 documents
Lower Rydberg series of methane: a combined coupled cluster linear response and molecular quantum defect orbital calculation.
2006
Vertical excitation energies as well as related absolute photoabsorption oscillator strength data are very scarce in the literature for methane. In this study, we have characterized the three existing series of low-lying Rydberg states of CH4 by computing coupled cluster linear response (CCLR) vertical excitation energies together with oscillator strengths in the molecular-adapted quantum defect orbital formalism from a distorted Cs geometry selected on the basis of outer valence green function calculations. The present work provides a wide range of data of excitation energies and absolute oscillator strengths which correspond to the Rydberg series converging to the three lower ionization p…
Determination of the154Sm ionization energy by high-precision laser spectroscopy
2004
High-resolution resonance ionization mass spectrometry has been used to determine the ionization energy of 154Sm. Three-step resonant excitation with single-frequency lasers populates a series of ? = 3, J = 4 Rydberg levels in the range of n = 60?160, covering the range of 30 cm?1 to 4 cm?1 below the first ionization limit. Although samarium has a complex electronic structure with eight valence electrons, series of nearly unperturbed levels could be observed. Analysis includes shifts caused by a single perturbing state, an extended Ritz term for quantum defect variation at lower n, and corrections for residual electric fields. The resulting series convergence limit has an uncertainty of 4 ?…
Generalised Kronig-Penney model for ultracold atomic quantum systems
2014
We study the properties of a quantum particle interacting with a one dimensional structure of equidistant scattering centres. We derive an analytical expression for the dispersion relation and for the Bloch functions in the presence of both even and odd scattering waves within the pseudopotential approximation. This generalises the well-known solid-state physics text-book result known as the Kronig-Penney model. Our generalised model can be used to describe systems such as degenerate Fermi gases interacting with ions or with another neutral atomic species confined in an optical lattice, thus enabling the investigation of polaron or Kondo physics within a simple formalism. We focus our atten…
Rydberg Series Excitation of a Single Trapped Ca+40 Ion for Precision Measurements and Principal Quantum Number Scalings
2021
A complete set of spectroscopic data is indispensable when using Rydberg states of trapped ions for quantum information processing. We carried out Rydberg series spectroscopy for $n{S}_{1/2}$ states with $38\ensuremath{\le}n\ensuremath{\le}65$ and for $n{D}_{5/2}$ states with $37\ensuremath{\le}n\ensuremath{\le}50$ on a single trapped $^{40}{\mathrm{Ca}}^{+}$ ion. We determined the ionization energy of 2 870 575.582(15) GHz, 60 times more accurately as compared to the accepted value and contradicting it by 7.5 standard deviations. We confirm quantum defect values of ${\ensuremath{\delta}}_{{S}_{1/2}}=1.802\text{ }995(5)$ and ${\ensuremath{\delta}}_{{D}_{5/2}}=0.626\text{ }888(9)$ for $n{S}_…
Determination of quantum defect for the Rydberg P series of Ca II
2019
We present an experimental investigation of the Rydberg 23 P$_{1/2}$ state of laser-cooled $^{40}$Ca$^+$ ions in a radiofrequency ion trap. Using micromotion sideband spectroscopy on a narrow quadrupole transition, the oscillating electric field at the ion position was precisely characterised, and the modulation of the Rydberg transition due to this field was minimised. From a correlated fit to this P line and previously measured P and F level energies of Ca II, we have determined the ionization energy of 95 751.916(32) $\rm {cm}^{-1}$, in agreement with the accepted value, and the quantum defect for the $n$ P$_{1/2}$ states.
Theoretical study of the discrete and continuum spectrum of BeH
2008
The transition intensities supplied in this Letter are directly connected with a description of the discrete and continuum spectrum of BeH. An attempt to meet our goal requires the calculation of the absorption oscillator strengths of several transitions to Rydberg states of BeH, together with differential oscillator strengths which give rise to different dipole-allowed photoionization channels from the molecular ground state. The calculations have been performed with the molecular-adapted quantum defect orbital (MQDO) approach. Predictions of new spectroscopic data on BeH at energies where high Rydberg transitions can take place, including the continuum region of the spectrum have been mad…
A theoretical study of the rotational structure of the ϵ(0,0) band of NO
2009
This study has been focused on the ϵ(0,0) band of the nitric oxide molecule, associated with the absorption electronic transition D2Σ+X 2Π, in the energetic vacuum ultraviolet region. A temperature of 295 K has been considered. The Molecular Quantum Defect Orbital (MQDO) methodology, with which reliable spectroscopic data have been reached in the γ(0,0), δ(0,0), and δ(1,0) bands of the same molecule, has also been used for these calculations. We hope that the present results might be of straightforward use in atmospheric and interstellar chemistry. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Low-lying Rydberg states of HCl.
2008
Vertical excitation energies belonging to some different Rydberg series of hydrogen chloride have been determined with a coupled-cluster theoretical approach. These excitation energies have allowed us to calculate electric dipole transition intensities in HCl and allow additional assessment of the calculation approach presently used to provide an adequate description of the valence and Rydberg states of HCl. The molecular quantum defect orbital has been applied to the calculation of oscillator strengths. In particular, new insight is given on the assignment of states as the R1Pi, the 1Delta(4dpi and 5ppi), the 1Sigma+(4dpi), and the nddelta(1Pi, 1Phi) and 4f states.
Excitation energies and photoabsorption oscillator strengths of the Rydberg series in CF3Cl. A linear response and quantum defect study.
2007
Vertical excitation energies of the CF(3)Cl molecule have been obtained from a response function approach with a CC reference function to determine absolute photoabsorption oscillator strengths in the molecular-adapted quantum defect orbital formalism (MQDO). The present work covers more highly excited Rydberg states than have been experimentally reported. Assessing of the reliability of the present calculations is provided through a comparative analysis between the results of the molecule and the Cl atom. This can be used to allow for predictions of the same type of properties in other analogous systems.
MQDO theoretical study of the C1Π–X1Σ+ band system of HCl
2008
Abstract Oscillator strengths for P, Q and R rotational lines belonging to the (0, v ″ = 0, 1) and (1, v ″ = 0, 1) bands for the C 1 Π–X 1 Σ + system of HCl have been theoretically studied. The calculations have been performed by following the molecular quantum defect orbital methodology, which has earlier proved to yield accurate intensities for transitions involving Rydberg states in a variety of molecular species. The results appear to be in good accord with the available experimental values. Predictions of a number of unknown intensities have also been made. We expect that the present data might be of help in the interpretation of future experimental measurements.