scholarly journals Systematic shell-model study on spectroscopic properties from light to heavy nuclei

2018 ◽  
Vol 178 ◽  
pp. 02016
Author(s):  
Cenxi Yuan
Keyword(s):  
Shell Model ◽  
Energy Levels ◽  
Spectroscopic Properties ◽  
Energy Difference ◽  
Binding Energies ◽  
Electromagnetic Properties ◽  
Heavy Nuclei ◽  
Weakly Bound ◽  
Model Study ◽  
Special Case

A systematic shell-model study is performed to study the spectroscopic properties from light to heavy nuclei, such as binding energies, energy levels, electromagnetic properties, and β decays. The importance of cross-shell excitation is shown in the spectroscopic properties of neutron-rich boron, carbon, nitrogen, and oxygen isotopes. A special case is presented for low-lying structure of 14C. The weakly bound effect of proton 1s1/2 orbit is necessary for the description of the mirror energy difference in the nuclei around A=20. Some possible isomers are predicted in the nuclei in the southeast region of 132Sn based on a newly suggested Hamiltonian. A preliminary study on the nuclei around 208Pb are given to show the ability of the shell model in the heavy nuclei.

Shell-model study ofS39(β−)39Cl and the energy levels ofCl39

1989 ◽  
Vol 40 (6) ◽  
pp. 2823-2833 ◽  
Author(s):  
E. K. Warburton ◽  
J. A. Becker
Keyword(s):  
Shell Model ◽  
Energy Levels ◽  
Model Study

scholarly journals Deformed shell model study of event rates for WIMP-73Ge scattering

2017 ◽  
Vol 32 (38) ◽  
pp. 1750210 ◽  
Author(s):  
R. Sahu ◽  
V. K. B. Kota
Keyword(s):  
Dark Matter ◽  
Inelastic Scattering ◽  
Shell Model ◽  
Energy Levels ◽  
Supersymmetric Model ◽  
Dark Matter Candidate ◽  
Detection Rates ◽  
Hartree Fock ◽  
Model Study ◽  
Event Rates

The event detection rates for the Weakly Interacting Massive Particles (WIMP) (a dark matter candidate) are calculated with [Formula: see text]Ge as the detector. The calculations are performed within the deformed shell model (DSM) based on Hartree–Fock states. First, the energy levels and magnetic moment for the ground state and two low-lying positive parity states for this nucleus are calculated and compared with experiment. The agreement is quite satisfactory. Then the nuclear wave functions are used to investigate the elastic and inelastic scattering of WIMP from [Formula: see text]Ge; inelastic scattering, especially for the [Formula: see text] transition, is studied for the first time. The nuclear structure factors which are independent of supersymmetric model are also calculated as a function of WIMP mass. The event rates are calculated for a given set of nucleonic current parameters. The calculation shows that [Formula: see text]Ge is a good detector for detecting dark matter.

Shell model study ofS40(β−)40Cl and the energy levels ofCl40

1989 ◽  
Vol 39 (4) ◽  
pp. 1535-1543 ◽  
Author(s):  
E. K. Warburton ◽  
J. A. Becker
Keyword(s):  
Shell Model ◽  
Energy Levels ◽  
Model Study

A NEW LOOK AT SUPER HEAVY NUCLEI

2008 ◽  
Vol 22 (25n26) ◽  
pp. 4511-4523 ◽  
Author(s):  
G. S. ANAGNOSTATOS
Keyword(s):  
Shell Model ◽  
Binding Energies ◽  
Magic Numbers ◽  
Heavy Nuclei ◽  
Charge Radii ◽  
Super Heavy Nuclei ◽  
New Look

A new look at super heavy nuclei is attempted by employing the Isomorphic shell Model or, in different wording, the Multiharmonic Shell Model. After 208 Pb the same magic numbers, like the conventional Shell Model, are predicted, i.e., at Z = 126 and N = 184. Good results for charge radii and binding energies for a sample of nuclei are also presented.

Modeling of the Properties of Dopants in the NLO Semiconductor CdGeAs2

1999 ◽  
Vol 607 ◽  
Author(s):  
Ravindra Pandey ◽  
Melvin C. Ohmer ◽  
A. Costales ◽  
J. M. Recio
Keyword(s):  
Experimental Data ◽  
Band Gap ◽  
Shell Model ◽  
Interatomic Potential ◽  
Host Lattice ◽  
Binding Energies ◽  
First Principle ◽  
Group Iii ◽  
Model Study

AbstractThe results of a shell-model study on CdGeAs2 doped with Cu, Ag, B, Al, Ga, and In are presented here. The pairwise interatomic potential terms representing the interaction of dopants with the host lattice ions are derived using first principle methods while empirical fitting methods are used for the host-lattice potentials. Defect calculations based on Mott-Littleton methodology predict small binding energies for Cu and Ag substituting Cd in the lattice which are in agreement with the available experimental data. The group III dopants (i.e. B, Al, Ga and In) at the Ge site are predicted to have large binding energies for a hole placing acceptor levels in the middle of the band gap.

Collective motion in the nuclear shell model IV. Odd-mass nuclei in the sd shell

1968 ◽  
Vol 302 (1471) ◽  
pp. 509-528 ◽  
Keyword(s):  
Shell Model ◽  
Effective Charge ◽  
Collective Motion ◽  
Energy Levels ◽  
Electromagnetic Properties ◽  
Coupling Scheme ◽  
Nuclear Shell Model ◽  
Nuclear Shell ◽  
Shell Energy

The U 3 coupling scheme is used as the basis for a survey of the odd nuclei in the sd shell. Energy levels and electromagnetic properties are compared with experiment. In the first half of the shell, A < 28, there is agreement, but in the second half the data suggest some­thing much closer to jj coupling. The need for an effective charge also disappears beyond A = 28.

scholarly journals Unraveling the electrochemical and spectroscopic properties of neutral and negatively charged perylene tetraethylesters

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Christian Wiebeler ◽  
Joachim Vollbrecht ◽  
Adam Neuba ◽  
Heinz-Siegfried Kitzerow ◽  
Stefan Schumacher
Keyword(s):  
Absorption Spectra ◽  
Density Functional ◽  
Energy Levels ◽  
Spectroscopic Properties ◽  
Absorption Bands ◽  
Functional Theory ◽  
Vertical Excitation ◽  
Hartree Fock ◽  
Tauc Plot ◽  
Electrochemical Approach

AbstractA detailed investigation of the energy levels of perylene-3,4,9,10-tetracarboxylic tetraethylester as a representative compound for the whole family of perylene esters was performed. It was revealed via electrochemical measurements that one oxidation and two reductions take place. The bandgaps determined via the electrochemical approach are in good agreement with the optical bandgap obtained from the absorption spectra via a Tauc plot. In addition, absorption spectra in dependence of the electrochemical potential were the basis for extensive quantum-chemical calculations of the neutral, monoanionic, and dianionic molecules. For this purpose, calculations based on density functional theory were compared with post-Hartree–Fock methods and the CAM-B3LYP functional proved to be the most reliable choice for the calculation of absorption spectra. Furthermore, spectral features found experimentally could be reproduced with vibronic calculations and allowed to understand their origins. In particular, the two lowest energy absorption bands of the anion are not caused by absorption of two distinct electronic states, which might have been expected from vertical excitation calculations, but both states exhibit a strong vibronic progression resulting in contributions to both bands.

scholarly journals A New Piano-Stool Ruthenium(II) P-Cymene-Based Complex: Crystallographic, Hirshfeld Surface, DFT, and Luminescent Studies

Crystals ◽  
2020 ◽  
Vol 11 (1) ◽  
pp. 13
Author(s):  
Mohd. Muddassir ◽  
Abdullah Alarifi ◽  
Mohd. Afzal
Keyword(s):  
Density Functional ◽  
Weak Interactions ◽  
Energy Levels ◽  
Hirshfeld Surface ◽  
Binding Energies ◽  
Orbital Energy ◽  
Aminosalicylic Acid ◽  
Full Characterization

A new complex (Ru(η6-p-cymene)(5-ASA)Cl2) (1) where 5-ASA is 5-aminosalicylic acid has been prepared by reacting the ruthenium arene precursors ((η6-arene)Ru(μ-Cl)Cl)2, with the 5-ASA ligands in a 1:1 ratio. Full characterization of complex 1 was accomplished by elemental analysis, IR, and TGA following the structure obtained from a single-crystal X-ray pattern. The structural analysis revealed that complex 1 shows a “piano-stool” geometry with Ru-C (2.160(5)- 2.208(5)Å), Ru-N (2.159(4) Å) distances, which is similar to equivalents sister complex. Density functional theory (DFT) was used to calculate the significant molecular orbital energy levels, binding energies, bond angles, bond lengths, and spectral data (FTIR, NMR, and UV–VIS) of complex 1, consistent with the experimental results. The IR and UV–VIS spectra of complex 1 were computed using all of the methods and choose the most appropriate way to discuss. Hirshfeld surface analysis was also executed to understand the role of weak interactions such as H⋯H, C⋯H, C-H⋯π, and vdW interactions, which play a significant role in the crystal environment’s stability. Moreover, the luminescence results at room temperature show that complex 1 gives a more intense emission band positioned at 465 nm upon excitation at 330 nm makes it a suitable candidate for the building of photoluminescent material.

scholarly journals np-Pair Correlations in the Isovector Pairing Model

Symmetry ◽  
2021 ◽  
Vol 13 (8) ◽  
pp. 1405
Author(s):  
Feng Pan ◽  
Yingwen He ◽  
Lianrong Dai ◽  
Chong Qi ◽  
Jerry P. Draayer
Keyword(s):  
Binding Energy ◽  
Occupation Number ◽  
Mean Field ◽  
Energy Difference ◽  
Binding Energies ◽  
Pair Correlations ◽  
Isospin Symmetry Breaking ◽  
Pairing Model ◽  
Proton Pairing ◽  
Spin Basis

A diagonalization scheme for the shell model mean-field plus isovector pairing Hamiltonian in the O(5) tensor product basis of the quasi-spin SUΛ(2) ⊗ SUI(2) chain is proposed. The advantage of the diagonalization scheme lies in the fact that not only can the isospin-conserved, charge-independent isovector pairing interaction be analyzed, but also the isospin symmetry breaking cases. More importantly, the number operator of the np-pairs can be realized in this neutron and proton quasi-spin basis, with which the np-pair occupation number and its fluctuation at the J = 0+ ground state of the model can be evaluated. As examples of the application, binding energies and low-lying J = 0+ excited states of the even–even and odd–odd N∼Z ds-shell nuclei are fit in the model with the charge-independent approximation, from which the neutron–proton pairing contribution to the binding energy in the ds-shell nuclei is estimated. It is observed that the decrease in the double binding-energy difference for the odd–odd nuclei is mainly due to the symmetry energy and Wigner energy contribution to the binding energy that alter the pairing staggering patten. The np-pair amplitudes in the np-pair stripping or picking-up process of these N = Z nuclei are also calculated.

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