Lifetime of the metastable 6P
3/2 level of PbII

Roth, Andreas; Gerz, Ch.; Wilsdorf, D.; Werth, G.

doi:10.1007/bf01438500

Cited by 18 publications

(13 citation statements)

References 9 publications

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“…The transition wavelength for the transition 6P3/2--, 6P1/2 is 710 nm. We obtain a value of 40.0 ms which is in good accord with the experimental value of 41.2 ms [16]. We have also compared our calculations for the lifetimes of the excited state 2P~/2 for the ions Mg IV and Fe XVIII of the Fluorine isoetectronic sequence with the calculations using configuration interaction (CI) wavefunctions within the BreitPauli approximation [18,19].…”

Section: 2-7j (12)supporting

confidence: 73%

M1 transition probabilities between fine structure components2L J (L ≥ 1)

Baluja

Agrawal

1995

Z Phys D - Atoms, Molecules and Clusters

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Abstract. Spontaneous emission transition probabilities of the magnetic dipole transitions between states of ground state configurations consisting of one nl electron (or a hole) outside a closed shell have been calculated by using relativistic terms of order c~2Z 2 and using hydrogenic orbitals to calculate the required overlap integrals. The line strengths calculated for the Boron and Fluorine isoelectronic sequences are in excellent agreement with the calculations involving Dirac wavefunctions for all ions upto Z = 60. The maximum difference at the highest value of Z = 92 is about 6%. Our calculated lifetimes for the state 2p 5 ZPI/2 for Fluorine-like Mg IV and Fe XVIII are 5.03 s and 51.7 gs respectively which are in excellent accord with corresponding values 5.00 s and 51.0 gs calculated by using sophisticated configuration interaction wavefunctions within the Breit-Pauli approximation. Our calculated value of lifetime for Thalium-like Pb II is 40.0ms which is in good accord with the experimental value of 41.2 ms. New results are presented for the highly ionized ions in the Al-like and Cl-like isoelectronic sequences. The present analysis can be exploited for all the ions in the isoelectronic sequences of elements of groups III A, III B VII A of the periodic table.

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Section: 2-7j (12)supporting

confidence: 73%

M1 transition probabilities between fine structure components2L J (L ≥ 1)

Baluja

Agrawal

1995

Z Phys D - Atoms, Molecules and Clusters

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“…This result and the improvements in the M 1 and E2 transition amplitudes due to the UCC formulation coupled together give a value of the lifetime of the 6 2 P 3/2 state of P b + that is clearly in better agreement with the corresponding CCSD(T) calculation. This value is within the limits of the experimental error [20], but this is not the case for CCSD(T).…”

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confidence: 50%

Relativistic unitary coupled cluster theory and applications

Sur

Chaudhuri

Sahoo

et al. 2008

J. Phys. B: At. Mol. Opt. Phys.

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We present the first formulation and application of relativistic unitary coupled cluster theory to atomic properties. The remarkable features of this theory are highlighted, and it is used to calculate the lifetimes of 5 2 D 3/2 and 6 2 P 3/2 states of Ba + and P b + respectively. The results clearly suggest that it is very well suited for accurate ab initio calculations of properties of heavy atomic systems.PACS numbers: 31.15. Ar, 31.15.Dv, 31.25.Jf, 32.10.Fn There have been a number of attempts to modify coupled-cluster (CC) theory [1], despite its spectacular success in elucidating the properties of a wide range of many-body systems [1,2,3,4,5]. One interesting case in point is unitary coupled-cluster (UCC) theory which was first proposed by Kutzelnigg [6]. In this theory, the effective Hamiltonian is Hermitian by construction and the energy which is the expectation value of this operator in the reference state is unlike in CC theory, an upper bound to the ground state energy [5]. Another attractive feature of this theory which we shall discuss later is that at a given level of approximation it incorporates certain higher order excitations that are not present in CC theory. Furthermore, it is well suited for the calculation of properties where core relaxation effects are important [7,8]. In spite of the aforementioned advantages, there have been relatively few studies based on this method [9,10]. This work is the first relativistic formulation of unitary coupled cluster (UCC) theory and also the first application of this theory to atomic properties. In this letter, we first present the formal aspects of relativistic UCC theory and then apply it to calculate the lifetimes of the 5 2 D 3/2 and 6 2 P 3/2 states of Ba + and P b + respectively; which depend strongly on both relativistic and correlation effects. The comparison of the results of these calculations with accurate experimental data would constitute an important test of this theory.The exact wave function for a closed shell state in CC theory is obtained by the action of the operator exp(T ) on the reference state |Φ . However, in UCC theory [10], it is written aswhere σ = T − T † ; and T and T † are the excitation and deexcitation operators respectively. σ is clearly antiHermitian, since σ † = −σ. Using this unitary ansatz for the correlated wave function, the relativistic UCC equation in the Dirac-Coulomb approximation can be written aswhere H is the Dirac-Coulomb HamiltonianUsing the normal ordered Hamiltonian, Eq.(2) can be rewritten aswhere the normal ordered Hamiltonian is defined as H N = H − Φ| H |Φ and ∆E = E − Φ| H |Φ . . The choice of the operator σ makes the effective Hamiltonian H N = exp(−σ)H N exp(σ) Hermitian.The effective Hamiltonian is expressed by the Hausdorff expansion in CC theory as

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“…Calculations for Pb are limited to the positive ion because the treatment of the neutral atom would require a larger reference space ͑N v =10 or 12͒ that is no longer quasidegenerate and that therefore should be studied using third order H v relativistic calculations, which are not yet possible. Table I compares experimental [28][29][30][31] and calculated low lying excitation energies of Sr and Ba. Included also are coupled cluster ͑CC͒ calculations for Ba.…”

Section: Resultsmentioning

confidence: 99%

Relativistic effective valence shell Hamiltonian method: Excitation and ionization energies of heavy metal atoms

Chaudhuri

Freed

2005

The Journal of Chemical Physics

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The relativistic effective valence shell Hamiltonian H(v) method (through second order) is applied to the computation of the low lying excited and ion states of closed shell heavy metal atoms/ions. The resulting excitation and ionization energies are in favorable agreement with experimental data and with other theoretical calculations. The nuclear magnetic hyperfine constants A and lifetimes tau of excited states are evaluated and they are also in accord with experiment. Some of the calculated quantities have not previously been computed.

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Lifetime of the metastable 6P 3/2 level of PbII

Cited by 18 publications

References 9 publications

M1 transition probabilities between fine structure components2L J (L ≥ 1)

M1 transition probabilities between fine structure components2L J (L ≥ 1)

Relativistic unitary coupled cluster theory and applications

Relativistic effective valence shell Hamiltonian method: Excitation and ionization energies of heavy metal atoms

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