2017
DOI: 10.1103/physreva.96.040502
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P,T -odd and magnetic hyperfine-interaction constants and excited-state lifetime for HfF+

Abstract: Parity-and time-reversal-symmetry violating interaction constants required for the interpretation of a recent measurement (arXiv:1704.07928 [physics.atom-ph]) of corresponding symmetry violations in the Ω = 1 ( 3 ∆1) science state of the HfF + molecular ion are reported. Using a relativistic fourcomponent all-electron multi-reference configuration interaction model the nucleon-electron scalarpseudoscalar interaction constant is determined as WS = 20.0 [kHz]. An updated result for the electron electric-dipole-m… Show more

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Cited by 64 publications
(38 citation statements)
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“…In this plot in Figure 3 on page 16 also results of calculations reported by Fleig for the two molecules, HfF + and ThO, where a 3 ∆-state is of relevance for experiments, are included. [54] It can be inferred that the ratio W d /W s is rather insensitive to the chemical environment of the heavy nucleus, but is essentially determined by the exponential Z-dependence determined in Figure 3 on page 16.…”
Section: Ratio Of P T -Violating Propertiesmentioning
confidence: 99%
“…In this plot in Figure 3 on page 16 also results of calculations reported by Fleig for the two molecules, HfF + and ThO, where a 3 ∆-state is of relevance for experiments, are included. [54] It can be inferred that the ratio W d /W s is rather insensitive to the chemical environment of the heavy nucleus, but is essentially determined by the exponential Z-dependence determined in Figure 3 on page 16.…”
Section: Ratio Of P T -Violating Propertiesmentioning
confidence: 99%
“…Currently, measurements of molecular systems give rise to the most stringent constraints on the electron EDM and electron-nucleon couplings, due to the huge effective inner-molecular electric field. We use [107][108][109][110][111][112] C S is defined below Eq. (41); in that expression Z and N of the heaviest atom of the molecule should be used, yielding an approximately universal coefficient.…”
Section: Contributions To Nuclear Atomic and Molecular Edmsmentioning
confidence: 99%
“…In the correlation calculations 20 electrons of Hf and F were included explicitly while 60 (1s..4f ) electrons of Hf were modeled by the GRECP operator. For the calculations we have used the [12,16,16,10,8]/(6,5,5,3,1) basis set for Hf and [14,9,4,3]/(4,3,2,1) ANO-I basis set for F [44] used previously [12,[45][46][47]. The uncertainty of the calculation for the considered off-diagonal electronic matrix element (5) (which has two-electron excitation as a leading contributions and therefore determined by pure correlation effects) can be estimated as 50% which is enough for the current purposes.…”
Section: Electronic Structure Calculation Detailsmentioning
confidence: 99%