RELATIVISTIC ENERGY, OSCILLATOR STRENGTHS AND TRANSITION RATES OF THE 1s2 2 ln l 1S(m)(n =2–6, m1–5) STATES FOR Be-LIKE SYSTEM

2005 ◽  
Vol 16 (06) ◽  
pp. 951-968 ◽  
Author(s):  
MENG ZHANG ◽  
BING-CONG GOU
Keyword(s):  
Experimental Data ◽  
Energy Levels ◽  
Oscillator Strengths ◽  
Relativistic Energy ◽  
Transition Rates ◽  
Isoelectronic Sequence ◽  
Polarization Effects ◽  
First Order ◽  
Variational Calculations ◽  
First Order Perturbation

Variational calculations are carried out with a multiconfiguration-interaction wave function to obtain the relativistic energies of the 1s2 2 ln l 1 S (m)(n =2–6, m1–5) states for the beryllium isoelectronic sequence (Z =4–10). Relativistic corrections and the mass polarization effects are evaluated with the first-order perturbation theory. The identifications of the energy levels for 1s2 2 ln l 1 S (m)(n =2–6, m1–5) states in the Be-like ions are reported. The oscillator strengths, transition rates and wavelengths are also calculated. The calculated results are compared with other theoretical and experimental data in the literature.

Energies, wavelengths, lifetimes, E1, M1, E2, and M2 transitions rates for the sulfur isoelectronic sequence Fe XI, Nb XXVI–In XXXIV

2017 ◽  
Vol 95 (4) ◽  
pp. 393-401 ◽  
Author(s):  
K. Wang ◽  
S. Li ◽  
R. Si ◽  
C.Y. Chen ◽  
J. Yan ◽  
...  
Keyword(s):  
Quantum Electrodynamics ◽  
Energy Levels ◽  
Theoretical Data ◽  
Electric Quadrupole ◽  
Oscillator Strengths ◽  
Transition Rates ◽  
Isoelectronic Sequence ◽  
Fusion Plasma ◽  
Magnetic Quadrupole ◽  
Theoretical Results

Energies, wavelengths, lifetimes, oscillator strengths, electric dipole (E1), electric quadrupole (E2), magnetic dipole (M1), and magnetic quadrupole (M2) transition rates among the 42 fine structure levels belonging to the 3s23p4, 3s23p33d, and 3s3p5 configurations for S-like Fe and S-like ions with 41 ≤ Z ≤ 49 are calculated using the fully relativistic multiconfiguration Dirac–Fock (MCDF) method. In the calculations, contributions from correlations within the n = 6 complex, Breit interaction, and quantum electrodynamics effects are included. Detailed comparisons are made between the present results and the available experimental and other theoretical data. We found that our calculated energy levels generally agree within ≤0.5% with the experimentally compiled results, and the transition rates agree within ≤12% with other theoretical results for a majority of the transitions. These accurate theoretical data should be beneficial in fusion plasma research and astrophysical applications.

Energy levels and radiative transitions of the K-shell excited sextet states in boron-like sulfur ion

2016 ◽  
Vol 94 (10) ◽  
pp. 1054-1060 ◽  
Author(s):  
Yan Sun ◽  
CuiCui Sang ◽  
KaiKai Li ◽  
XinYu Qian ◽  
Feng Hu ◽  
...  
Keyword(s):  
Fine Structure ◽  
Relativistic Effect ◽  
Transition Probabilities ◽  
Theoretical Calculations ◽  
Energy Levels ◽  
Oscillator Strengths ◽  
Variation Method ◽  
First Order ◽  
Radiative Transitions ◽  
First Order Perturbation

Theoretical calculations are reported for energy levels and transition probabilities of the K-shell excited sextet series 6Se,o(m) and 6Po,e(m) (m = 1–7) for the astrophysically important element sulfur. Energy levels, fine structure splittings, and transition parameters of the high-lying sextet series 6Se,o(m) and 6Po,e(m) (m = 1–7) in boron-like sulfur ion are calculated with the multi-configuration Rayleigh–Ritz variation method. To obtain the accurate energy level, the relativistic corrections and mass polarization effect are included by using the first-order perturbation theory. Configuration structures of these sextet series are assigned according to the energies, percentage contributions of basis states to the eigenvector, relativistic effect corrections, and verification of fine structure splittings. The oscillator strengths, transition probabilities, and wavelengths of electric-dipole transitions between 6So,e(m) and 6Pe,o(m) (m = 1–7) states are also systematically calculated and discussed.

Inner-shell excitation energy levels, and radiative and Auger transitions of B-like nitrogen

2016 ◽  
Vol 94 (11) ◽  
pp. 1119-1124
Author(s):  
Chao Chen ◽  
Bingcong Gou ◽  
Chunmei Zhang
Keyword(s):  
Excitation Energy ◽  
Saddle Point ◽  
Energy Levels ◽  
Radiative Transition ◽  
Transition Rates ◽  
First Order ◽  
Complex Rotation ◽  
Background Data ◽  
Rotation Methods ◽  
First Order Perturbation

Inner-shell excitation energy levels, and radiative and Auger transitions of the 1s2s22p2, 1s2s22p3p, 1s2s2p3, 1s2p4, and 1s2p33p 2,4L (L = S, P, D) resonances for B-like nitrogen are calculated using the saddle-point variation and saddle-point complex-rotation methods. The first-order perturbation theory is used to calculate relativistic and mass polarization corrections. Present autoionization energy levels, radiative transition rates and wavelengths, Auger rates, and Auger electron energies for these resonances agree well with theoretical and experimental data available in the literature, and will provide valuable background data for astrophysics and plasma physics in future.

ENERGY, OSCILLATOR STRENGTH AND HYPERFINE STRUCTURE OF THE LOW-LYING EXCITED STATES FOR Be-LIKE SYSTEM

2003 ◽  
Vol 14 (05) ◽  
pp. 549-560 ◽  
Author(s):  
FEI WANG ◽  
BINGCONG GOU ◽  
XIAOLI WU ◽  
LIHONG HAN
Keyword(s):  
Experimental Data ◽  
Wave Function ◽  
Variational Method ◽  
Hyperfine Structure ◽  
Oscillator Strength ◽  
Excited States ◽  
Oscillator Strengths ◽  
Transition Rates ◽  
Isoelectronic Sequence ◽  
Relativistic Corrections

The Rayleigh–Ritz variational method is carried out with a multiconfiguration-interaction wave function and restricted variational method to obtain the relativistic energies of the 1s22s2p 1Po , 1s22s2p 3Po , and 1s22p23P states for the beryllium-like isoelectronic sequence (Z=4–10), including the mass polarization and relativistic corrections. The oscillator strengths and transition rates are also calculated. The results are compared with other theoretical and experimental data in the literature. The hyperfine structure of the low-lying excited states for this system is also explored.

Systematic trends along the potassium sequence: Study of ns2S–mp2P0 transitions

1991 ◽  
Vol 69 (10) ◽  
pp. 1273-1283 ◽  
Author(s):  
Inmaculada Martin ◽  
Carmen Lavín ◽  
Carmen Barrientos
Keyword(s):  
Dipole Transition ◽  
Quantum Defect ◽  
Oscillator Strengths ◽  
Transition Operator ◽  
Graphical Form ◽  
Isoelectronic Sequence ◽  
Core Polarization ◽  
Polarization Effects ◽  
General Improvement ◽  
Sequence Study

The quantum defect orbital (QDO) method, with the use of a core polarization-corrected dipole transition operator, was employed to determine oscillator strengths for potassium and some of its isoelectronic ions (CaII–CrVI). The inclusion of core-valence polarization effects leads to a general improvement of the QDO f values. Systematic trends of individual oscillator strengths along the isoelectronic sequence are also shown in a graphical form.

scholarly journals Energy levels and transition rates for the boron isoelectronic sequence: Si X, Ti XVIII – Cu XXV

2013 ◽  
Vol 559 ◽  
pp. A100 ◽  
Author(s):  
P. Jönsson ◽  
J. Ekman ◽  
S. Gustafsson ◽  
H. Hartman ◽  
L. B. Karlsson ◽  
...  
Keyword(s):  
Energy Levels ◽  
Transition Rates ◽  
Isoelectronic Sequence

Theoretical investigation of [Ru(tpy)2]2+, [Ru(tpy)(bpy)(H2O)]2+ and [Ru(tpy)(bpy)(Cl)]+ complexes in acetone revisited: Inclusion of strong spin–orbit couplings to quantum chemistry calculations

2016 ◽  
Vol 15 (01) ◽  
pp. 1650001
Author(s):  
Kenji Mishima ◽  
Takumi Kinoshita ◽  
Michitoshi Hayashi ◽  
Ryota Jono ◽  
Hiroshi Segawa ◽  
...  
Keyword(s):  
Experimental Data ◽  
Quantum Chemistry ◽  
Absorption Spectra ◽  
Density Functional ◽  
Order Perturbation ◽  
Basis Sets ◽  
Spin Orbit ◽  
First Order ◽  
Quantum Chemistry Calculations ◽  
First Order Perturbation

In the present paper, we theoretically reinvestigate structural properties, and photo-physical and chemical characteristics and electronic absorption spectra of three kinds of ruthenium polypyridyl complexes [Ru(tpy)[Formula: see text], [Ru(tpy)(bpy)(H2O)][Formula: see text], and [Ru(tpy)(bpy)(Cl)][Formula: see text] complexes in acetone (tpy[Formula: see text]2,2[Formula: see text],2[Formula: see text]-terpyridine and bpy[Formula: see text]2,2[Formula: see text]-bipyridine). In particular, the experimental absorption spectra of these complexes are revisited theoretically in detail and are simulated using the first-order perturbation theory based on time-dependent density functional theory (TD-DFT) where the first-order perturbation term is the spin–orbit (SO) coupling Hamiltonian, and quantum chemistry calculations based on various functionals and basis sets. It was found that in general the theory including SO coupling can reproduce experimental data better than the simple quantum chemistry calculation neglecting SO coupling, which indicates that SO coupling is very important to understand the optical features of these complexes and that therefore the mixing between singlet and triplet states is strong due to the large SO coupling constant of Ru atom involved in these complexes. This suggests the fact that the disagreement between the experimental and calculated absorption spectra was found in TDB3LYP/(SDD with triple-[Formula: see text] for Ru and 6-31G* for others) [Jakubikova EJ et al., Inorg Chem 48:10720, 2009] can be tracked down to the neglect of SO couplings. It was also found that the choice of the DFT functionals and basis sets is crucial for a good theoretical reproduction of experimental data.

Quantization of coupled orbits in metals

1962 ◽  
Vol 270 (1340) ◽  
pp. 1-13 ◽  
Keyword(s):  
Magnetic Field ◽  
Perturbation Theory ◽  
Fourier Analysis ◽  
Level Density ◽  
Energy Levels ◽  
Interference Effects ◽  
Level System ◽  
First Order ◽  
Simple Network ◽  
First Order Perturbation

The failure of semi-elassical quantization of electron orbits in metals in the presence of a strong enough magnetic field (magnetic breakthrough) is discussed in an elementary fashion by means of first-order perturbation theory. The interference effects, which arise when orbits about different centres are coupled, are reproduced in a simple network analogue. Exact analysis of the network shows how the energy levels are broadened by the coupling and eventually reform into a different set of levels. Fourier analysis of the level density reveals what might be observed in the de Haas—van Alphen effect when magnetic breakthrough is significant, and it is concluded that in principle the whole evolution of the level system should be observable.

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