Particle-hole configuration interaction and many-body perturbation theory: application to Hg+

Abstract

The combination of configuration interaction and many-body perturbation theory methods (CI+MBPT) is extended to non-perturbatively include configurations with electron holes below the designated Fermi level, allowing us to treat systems where holes play an important role. For example, the method can treat valence-hole systems like Ir${}^{17+}$, particle-hole excitations in noble gases, and difficult transitions such as the $6s\to 5d^{-1}6s^2$ optical clock transition in Hg${}^{+}$. We take the latter system as our test case for the method and obtain very good accuracy (~1%) for the low-lying transition energies. The $\alpha$-dependence of these transitions is calculated and used to reinterpret the existing best laboratory limits on the time-dependence of the fine-structure constant.

6 pages

References in corpus (7)

• Observation of the 1S0 - 3P0 clock transition in 27Al+
• Development of a configuration-interaction + all-order method for atomic calculations
• Hole transitions in multiply-charged ions for precision laser spectroscopy and searching for alpha-variation
• Relativistic corrections to transition frequencies of Ag I, Dy I, Ho I, Yb II, Yb III, Au I and Hg II and search for variation of the fine structure constant
• Laboratory atomic transition data for precise optical quasar absorption spectroscopy
• Isotope shift calculations in Ti II
• Transition frequency shifts with fine structure constant variation for Fe II: Breit and core-valence correlation correction

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• Unexpectedly large difference of the electron density at the nucleus in the 4p ${}^2$P${}_{1/2,3/2}$ fine-structure doublet of Ca${}^{+}$
• High-precision ab initio calculations of the spectrum of Lr${}^{+}$
• Saturated configuration interaction calculations for five-valent Ta and Db
• Isotope shifts in ${}^{20,22}$Ne -- Precision measurements and global analysis in the framework of intermediate coupling
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• Energy Level Structure of Sn${}^{3+}$ Ions
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