THE THIRD SPECTRUM OF RHODIUM (Rh III)

1966 ◽  
Vol 44 (4) ◽  
pp. 895-915 ◽  
Author(s):  
Laura Iglesias
Keyword(s):  
Electronic Structure ◽  
Previous Analysis ◽  
Energy Levels ◽  
The Third ◽  
New Energy ◽  
Theoretical Predictions ◽  
Electronic Configurations ◽  
Good Agreement

The description of the Rh III spectrum has been extended and a new study of its electronic structure has been made. As a result of this investigation a previous analysis has been corrected and 154 new energy levels from the electronic configurations 4d7, 4d65s, and 4d65p have been determined. These are in very good agreement with the theoretical predictions.

On the interpretation of complex atomic spectra by means of the parametric Racah–Slater method and Cowan codes1This article is part of a Special Issue on the 10th International Colloquium on Atomic Spectra and Oscillator Strengths for Astrophysical and Laboratory Plasmas.

2011 ◽  
Vol 89 (4) ◽  
pp. 451-456 ◽  
Author(s):  
Jean-François Wyart
Keyword(s):  
Transition Probabilities ◽  
Energy Levels ◽  
Lanthanide Ions ◽  
Oscillator Strengths ◽  
Effective Parameters ◽  
International Colloquium ◽  
Atomic Spectra ◽  
Laboratory Plasmas ◽  
New Energy ◽  
Electronic Configurations

Theoretical studies of electronic configurations of several lanthanide ions in the Racah–Slater approach were performed with the standard suite of codes by R.D. Cowan, including a fitting of energy parameters. Configuration interaction was considered explicitly in the low configurations and was processed by effective parameters for doubly-excited far configurations. Mean errors lower than 100 cm–1 were obtained. Systematic differences are noticed between radial integrals calculated by ab initio PHFR and the Pfit fitted values. The consistency of the scaling factors SF(P) = Pfit/PHFR and of the effective parameters for far configuration effects is shown. In an application to Tm II, the predicted transition probabilities compared well with line intensities and led to the finding of new energy levels. In Nd II, the configuration 4f5 is identified.

scholarly journals Extended Atomic Structure Calculations for W11+ and W13+

Atoms ◽  
2020 ◽  
Vol 8 (4) ◽  
pp. 92
Author(s):  
Narendra Singh ◽  
Sunny Aggarwal ◽  
Man Mohan
Keyword(s):  
Transition Probability ◽  
Energy Levels ◽  
Ground Level ◽  
Fusion Plasmas ◽  
Excitation Energies ◽  
New Energy ◽  
Atomic Structure Calculations ◽  
Structure Calculations ◽  
Theoretical Results ◽  
Good Agreement

We report an extensive and elaborate theoretical study of atomic properties for Pm-like and Eu-like Tungsten using Flexible Atomic Code (FAC). Excitation energies for 304 and 500 fine structure levels are presented respectively, for W11+ and W13+. Properties of the 4f-core-excited states are evaluated. Different sets of configurations are used and the discrepancies in identifications of the ground level are discussed. We evaluate transition wavelength, transition probability, oscillator strength, and collisional excitation cross section for various transitions. Comparisons are made between our calculated values and previously available results, and good agreement has been achieved. We have predicted some new energy levels and transition data where no other experimental or theoretical results are available. The present set of results should be useful in line identification and interpretation of spectra as well as in modelling of fusion plasmas.

scholarly journals Electronic Structure of the Principal Uranium Centre in Alkali Fluorides

1986 ◽  
Vol 39 (4) ◽  
pp. 555 ◽  
Author(s):  
WA Runciman ◽  
B Srinivasan ◽  
S Saebo
Keyword(s):  
Electronic Structure ◽  
Excited States ◽  
Sodium Fluoride ◽  
Lithium Fluoride ◽  
Energy Levels ◽  
Similar Model ◽  
Hexavalent Uranium ◽  
Fitting Procedures ◽  
Charge Transfer Transitions ◽  
Good Agreement

Fluorescent centres are formed when hexavalent uranium is incorporated into lithium fluoride and sodium fluoride in an oxygen atmosphere. The principal centre is believed to consist of a UOsF group. Calculations have been made of the electronic structure of this centre assuming that the excited states are due to charge transfer transitions. Different models are considered and fitting procedures used to find parameters yielding good agreement with the energy levels and 9 values of the seven lowest excited states of the centre in sodium fluoride. A similar model is believed to be applicable to the principal centre in lithium fluoride.

The spherical shell nuclear model

1952 ◽  
Vol 214 (1119) ◽  
pp. 446-451
Keyword(s):  
Spherical Shell ◽  
Energy Levels ◽  
Nuclear Model ◽  
Vibration Level ◽  
New Energy ◽  
Good Agreement

It is found that the spherical shell nuclear model has new energy levels due to the interaction of the vibrations and the rotation. Each vibration level has a series of equally spaced levels belonging to it. The levels of aluminium 28 and silicon 28 are compared with the values predicted by the theory and good agreement is found.

The electronic structure and magnetic properties of uranyl-like ions II. Plutonyl

1956 ◽  
Vol 238 (1212) ◽  
pp. 31-45 ◽  
Keyword(s):  
Aqueous Solution ◽  
Magnetic Properties ◽  
Absorption Spectrum ◽  
Electronic Structure ◽  
Energy Levels ◽  
Electronic Configuration ◽  
Resonance Absorption ◽  
Experimental Results ◽  
Microwave Resonance ◽  
Good Agreement

The electronic configuration and bonding in (PuO 2 ) 2+ are considered. The calculated energy levels can be correlated satisfactorily with the absorption spectrum of (PuO 2 ) 2+ in aqueous solution by a plausible choice of numerical parameters. The microwave resonance absorption and paramagnetic susceptibility are derived on the basis of the model, and are in good agreement with experimental results.

Energy Levels and Electromagnetic Transition of 90-94mo Nuclei Using Ibm-1

2020 ◽  
pp. 149-152
Keyword(s):  
Experimental Data ◽  
Transition Probability ◽  
Energy Levels ◽  
Dynamical Symmetry ◽  
Interacting Boson Model ◽  
Excitation Energies ◽  
Electromagnetic Transition ◽  
Boson Model ◽  
Energy States ◽  
Good Agreement

The energy states for the J , b , ɤ bands and electromagnetic transitions B (E2) values for even – even molybdenum 90 – 94 Mo nuclei are calculated in the present work of "the interacting boson model (IBM-1)" . The parameters of the equation of IBM-1 Hamiltonian are determined which yield the best excellent suit the experimental energy states . The positive parity of energy states are obtained by using IBS1. for program for even 90 – 94 Mo isotopes with bosons number 5 , 4 and 5 respectively. The" reduced transition probability B(E2)" of these neuclei are calculated and compared with the experimental data . The ratio of the excitation energies of the 41+ to 21+ states ( R4/2) are also calculated . The calculated and experimental (R4/2) values showed that the 90 – 94 Mo nuclei have the vibrational dynamical symmetry U(5). Good agreement was found from comparison between the calculated energy states and electric quadruple probabilities B(E2) transition of the 90–94Mo isotopes with the experimental data .

scholarly journals New Transition and Energy Levels of Three-Times Ionized Krypton (Kr IV)

Atoms ◽  
2021 ◽  
Vol 9 (3) ◽  
pp. 48
Author(s):  
M. Raineri ◽  
M. Gallardo ◽  
J. Reyna Almandos ◽  
A. G. Trigueiros ◽  
C. J. B. Pagan
Keyword(s):  
Transition Probabilities ◽  
Energy Levels ◽  
Pulsed Discharge ◽  
Core Polarization ◽  
Polarization Effects ◽  
Hartree Fock ◽  
Theta Pinch ◽  
New Energy ◽  
First Time

A capillary pulsed-discharge and a theta-pinch were used to record Kr spectra in the region of 330–4800 Å. A set of 168 transitions of these spectra were classified for the first time. We extended the analysis to twenty-five new energy levels belonging to 3s23p24d, 3s23p25d even configurations. We calculated weighted transition probabilities (gA) for all of the experimentally observed lines and lifetimes for new energy levels using a relativistic Hartree–Fock method, including core-polarization effects.

scholarly journals A Generalized Approach for Evaluating the Mechanical Properties of Polymer Nanocomposites Reinforced with Spherical Fillers

Nanomaterials ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 830
Author(s):  
Julio Cesar Martinez-Garcia ◽  
Alexandre Serraïma-Ferrer ◽  
Aitor Lopeandía-Fernández ◽  
Marco Lattuada ◽  
Janak Sapkota ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Polymeric Nanocomposites ◽  
Mechanical Reinforcement ◽  
Future Studies ◽  
Three Phase ◽  
Theoretical Predictions ◽  
Filler Network ◽  
New Research ◽  
Good Agreement ◽  
Research Avenue

In this work, the effective mechanical reinforcement of polymeric nanocomposites containing spherical particle fillers is predicted based on a generalized analytical three-phase-series-parallel model, considering the concepts of percolation and the interfacial glassy region. While the concept of percolation is solely taken as a contribution of the filler-network, we herein show that the glassy interphase between filler and matrix, which is often in the nanometers range, is also to be considered while interpreting enhanced mechanical properties of particulate filled polymeric nanocomposites. To demonstrate the relevance of the proposed generalized equation, we have fitted several experimental results which show a good agreement with theoretical predictions. Thus, the approach presented here can be valuable to elucidate new possible conceptual routes for the creation of new materials with fundamental technological applications and can open a new research avenue for future studies.

scholarly journals Full-dimensional quantum stereodynamics of the non-adiabatic quenching of OH(A2Σ+) by H2

2021 ◽  
Author(s):  
Bin Zhao ◽  
Shanyu Han ◽  
Christopher L. Malbon ◽  
Uwe Manthe ◽  
David. R. Yarkony ◽  
...  
Keyword(s):  
Quantum Dynamics ◽  
Previous Analysis ◽  
Branching Ratio ◽  
Energy Matrix ◽  
Elastic Channel ◽  
Electronically Excited ◽  
Oppenheimer Approximation ◽  
Electronic Motion ◽  
Adiabatic Dynamics ◽  
Good Agreement

AbstractThe Born–Oppenheimer approximation, assuming separable nuclear and electronic motion, is widely adopted for characterizing chemical reactions in a single electronic state. However, the breakdown of the Born–Oppenheimer approximation is omnipresent in chemistry, and a detailed understanding of the non-adiabatic dynamics is still incomplete. Here we investigate the non-adiabatic quenching of electronically excited OH(A2Σ+) molecules by H2 molecules using full-dimensional quantum dynamics calculations for zero total nuclear angular momentum using a high-quality diabatic-potential-energy matrix. Good agreement with experimental observations is found for the OH(X2Π) ro-vibrational distribution, and the non-adiabatic dynamics are shown to be controlled by stereodynamics, namely the relative orientation of the two reactants. The uncovering of a major (in)elastic channel, neglected in a previous analysis but confirmed by a recent experiment, resolves a long-standing experiment–theory disagreement concerning the branching ratio of the two electronic quenching channels.

Systematic calculations of energy levels and transitions rates in Mo XXVIII

2020 ◽  
Vol 75 (8) ◽  
pp. 739-747
Author(s):  
Feng Hu ◽  
Yan Sun ◽  
Maofei Mei
Keyword(s):  
Energy Levels ◽  
Oscillator Strengths ◽  
Atomic Data ◽  
Data Sets ◽  
Electron Systems ◽  
Excitation Energies ◽  
Experimental Values ◽  
Qed Effects ◽  
Hyperfine Structures ◽  
Good Agreement

AbstractComplete and consistent atomic data, including excitation energies, lifetimes, wavelengths, hyperfine structures, Landé gJ-factors and E1, E2, M1, and M2 line strengths, oscillator strengths, transitions rates are reported for the low-lying 41 levels of Mo XXVIII, belonging to the n = 3 states (1s22s22p6)3s23p3, 3s3p4, and 3s23p23d. High-accuracy calculations have been performed as benchmarks in the request for accurate treatments of relativity, electron correlation, and quantum electrodynamic (QED) effects in multi-valence-electron systems. Comparisons are made between the present two data sets, as well as with the experimental results and the experimentally compiled energy values of the National Institute for Standards and Technology wherever available. The calculated values including core-valence correction are found to be in a good agreement with other theoretical and experimental values. The present results are accurate enough for identification and deblending of emission lines involving the n = 3 levels, and are also useful for modeling and diagnosing plasmas.

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