K<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>2</mml:mn></mml:msub></mml:math>O<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>2</mml:mn></mml:msub></mml:math>: The most stable oxide of K

Nandy, Ashis; Mahadevan, Priya

doi:10.1103/physrevb.84.035116

Cited by 28 publications

(31 citation statements)

References 22 publications

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“…This is obviously better than the approach to improve the E v/a values by incorporating contributions from the important triple excitations in a perturbative approach in the CCSD method (CCSD(T) method) that was employed in [16,37].…”

Section: Methods For Calculationmentioning

confidence: 99%

An optimized ion trap geometry to measure quadrupole shifts of ¹⁷¹ Yb ⁺ clocks

Batra

Sahoo

2016

Chinese Phys. B

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We propose a new ion-trap geometry to carry out accurate measurements of the quadrupole shifts in the 171 Yb-ion. This trap will produce nearly ideal harmonic potential where the quadrupole shifts due to the anharmonic components can be reduced by four orders of magnitude. This will be useful to reduce the uncertainties in the clock frequency measurements of the 6s 2 S 1/2 → 4f 13 6s 2 2 F 7/2 and 6s 2 S 1/2 → 5d 2 D 3/2 transitions, from which we can deduce precise values of the quadrupole moments (Θs) of the 4f 13 6s 2 2 F 7/2 and 5d 2 D 3/2 states. Moreover, it may be able to affirm validity of the measured Θ value of the 4f 13 6s 2 2 F 7/2 state where three independent theoretical studies defer almost by one order in magnitude from the measurement. We also perform calculations of Θs using the relativistic coupled-cluster (RCC) method. We use these Θ values to estimate quadrupole shift that can be measured in our proposed ion trap experiment.

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Section: Methods For Calculationmentioning

confidence: 99%

An optimized ion trap geometry to measure quadrupole shifts of ¹⁷¹ Yb ⁺ clocks

Batra

Sahoo

2016

Chinese Phys. B

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“…Considering further important triple excitation configurations in the calculations of the CCSD operator amplitudes in a self-consistent manner (referred to as the CCSD(T) method), we also raise the quality of the results. The detailed working equations for evaluating the above RCC amplitudes can be found elsewhere (Nandy & Sahoo 2013). After obtaining the ASFs with a valence electron in the 2p 3/2 , 2p 1/2 , and 2s orbitals of these ions, we calculate transition matrix element of an operator O between two considered states |Ψ f and |Ψ i by…”

Section: Theory and Calculation Methodsmentioning

confidence: 99%

“…The evaluation procedure of these terms are described elaborately in (Nandy & Sahoo 2013). The hyperfine structure constants of a given state |Ψ a are calculated by equating |Ψ i = |Ψ f = |Ψ a in the above expression.…”

Section: Theory and Calculation Methodsmentioning

confidence: 99%

Spectral properties of a few F-like ions

Nandy

Sahoo

2014

A&A

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Aims. We intend to provide accurate data for the oscillator strengths, transition probabilities, lifetimes, and hyperfine shifts of the atomic energy levels in the fluorine (F)-like Ti, V, Cr, Mn, Co, Ni, Cu, Zn, and Mo ions for the diagnostic of the astrophysical plasma. Furthermore, we propose these ions for probing possible variation in the fine structure constant (α e ) by observing their transition lines from the distant astronomical objects. Methods. We have employed an all-order perturbative method in the relativistic coupled-cluster framework using the Dirac-Coulomb Hamiltonian for calculating the atomic wave functions in the considered F-like ions. We adopted the Fock-space formalism to account for the correlation effects among the occupied electrons by allowing all possible singly and doubly excited configurations in two steps: first considering the correlations between the electrons in a closed-shell configuration, and second constructing the openshell configurations of the first three low-lying states in the considered atomic systems by removing the respective electron from the core orbitals. This procedure enormously simplifies the computational complexity and overcomes the need to select important configuration state functions in determining the atomic state functions in contrast to a truncated configuration interaction method. Moreover, corrections from the frequency-independent Breit interaction and the lowest order quantum electrodynamic effects are incorporated self-consistently. Results. We present the calculated ionization potential energies of the electrons that are detached to form the above considered F-like ions. The correctness of our estimated results are ensured by comparing them with the available experimental values and other calculations. From these calculations, we evaluate the relativistic sensitivity coefficients that we propose here to be used for probing possible temporal variation of the fine structure constant (α e ) through the precise astrophysical observation of the spectral lines of the transitions involving the above low-lying states. The accuracies of these sensitivity coefficients are appraised from the comparison of our calculated energies with the experimental values. We also present the line strengths by calculating the reduced matrix elements of the allowed transitions and of the M1 and E2 forbidden transitions. By combining our calculated line strengths with the observed wavelengths, we determine the oscillator strengths, transition probabilities, and lifetimes of the first two excited states of the above ions and compare them with the other theoretical calculations. The hyperfine splittings of the states are also presented by calculating their magnetic dipole and electric quadrupole hyperfine structure constants.

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“…Зона объемных состояний соответствует определен-ной в работе [10] и результатам расчетов [11,12]. На этом основании можно полагать, что при коадсорбции калия и кислорода на вольфраме образуется соединение K 2 O 2 , как это было найдено ранее в работах [2,9,10].…”

Section: обсуждение результатовunclassified