Configuration-Space Hamiltonian for Heavy Atoms and Correction to the Breit Interaction

Mittleman, Marvin H.

doi:10.1103/physreva.5.2395

Cited by 165 publications

(28 citation statements)

References 3 publications

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“…[10] to resolve difficulties with the Breit interaction in helium and extended to many-electron atoms by Mittleman in Refs. [11,12,13] and Sucher in…”

Section: Methodsmentioning

confidence: 99%

Revised transition probabilities for Fe XXV: Relativistic CI calculations

Johnson¹,

Safronova²

2007

Atomic Data and Nuclear Data Tables

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Revised data are provided for transition probabilities between fine-structure components of levels with n ≤ 6 in FeXXV. Earlier published data for transitions between fine-structure levels in FeXXV is found to in error, especially for certain classes of transitions. The purpose of the present note is to provide a corrected database for transitions in Fe XXV. Wave functions and energies for states with n ≤ 6 and J = 0 · · · 3 are determined using a relativistic configuration interaction (CI) expansion that includes the Breit interaction. To measure and control the numerical accuracy of the calculations, we compare our CI energies and matrix elements with values calculated using relativistic second-order many-body perturbation theory (MBPT), also including the Breit interaction. We obtain good agreement between our CI and MBPT calculations but disagree with earlier calculations for transitions with ∆L = 2 and for intercombination transitions (∆S = 1). We provide wavelengths, line strengths and transitions rates for fine-structure transitions between levels with n ≤ 6 in FeXXV.

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“…[10] to resolve difficulties with the Breit interaction in helium and extended to many-electron atoms by Mittleman in Refs. [11,12,13] and Sucher in…”

Section: Methodsmentioning

confidence: 99%

Revised transition probabilities for Fe XXV: Relativistic CI calculations

Johnson¹,

Safronova²

2007

Atomic Data and Nuclear Data Tables

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“…In notations of Sec. I, the one-photon exchange correction is written as [33,44] ∆E 1ph = 1 2 P (−1)…”

Section: Electron-electron Interaction Correction ∆E Int Incorporatementioning

confidence: 99%

QED calculation of then=1andn=2energy levels in He-like ions

et al. 2005

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We perform ab initio QED calculations of energy levels for the n = 1 and n = 2 states of He-like ions with the nuclear charge in the range Z = 12-100. The complete set of two-electron QED corrections is evaluated to all orders in the parameter αZ. Uncalculated contributions to energy levels come through orders α 3 (αZ) 2 , α 2 (αZ) 7 , and higher. The calculation presented is the first treatment for excited states of He-like ions complete through order α 2 (αZ) 4 . A significant improvement in accuracy of theoretical predictions is achieved, especially in the high-Z region.

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“…are large or have an opposite sign to term given in (32). Many atomic properties, including matrix elements for principle transitions in alkali-metal atoms, fall into this category.…”

Section: Limitations Of Sd and Sdpt Methodsmentioning

confidence: 99%

“…[31][32][33][34]. In this Hamiltonian, the electron kinetic and rest energies are from the Dirac equation and the potential energy is the sum of Coulomb and Breit interactions.…”

Section: Relativistic Many-body Perturbation Theorymentioning

confidence: 99%

All-Order Methods for Relativistic Atomic Structure Calculations

Safronova¹,

Johnson²

2008

Advances in Atomic, Molecular, and Optical Physics

116

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All-order extensions of relativistic atomic many-body perturbation theory are described and applied to predict properties of heavy atoms. Limitations of relativistic many-body perturbation theory are first discussed and the need for all-order calculations is established. An account is then given of relativistic all-order calculations based on a linearized version of the coupled-cluster expansion. This account is followed by a review of applications to energies, transition matrix elements, and hyperfine constants. The need for extensions of the linearized coupled-cluster method is discussed in light of accuracy limits, the availability of new computational resources, and precise modern experiments. For monovalent atoms, calculations that include nonlinear terms and triple excitations in the coupled-cluster expansion are described. For divalent atoms, results from second-and third-order perturbation theory calculations are given, along with results from configuration-interaction calculations and mixed configuration interaction-many-body perturbation theory calculations. Finally, applications of all-order methods to atomic parity nonconservation, polarizabilities, C 3 and C 6 coefficients, and isotope shifts are given.

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Configuration-Space Hamiltonian for Heavy Atoms and Correction to the Breit Interaction

Cited by 165 publications

References 3 publications

Revised transition probabilities for Fe XXV: Relativistic CI calculations

Revised transition probabilities for Fe XXV: Relativistic CI calculations

QED calculation of then=1andn=2energy levels in He-like ions

All-Order Methods for Relativistic Atomic Structure Calculations

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