arXiv subjects

J. C. Berengut

Publications and source records attributed to J. C. Berengut.

At least 37 records · Page 2Linked to original sources

arXiv2018

Saturated configuration interaction calculations for five-valent Ta and Db

Accurate atomic structure calculations of complicated atoms with 4 or more valence electrons begin to push the memory and time limits of supercomputers. This paper presents a robust method of decreasing the size of \textit{ab initio} configuration interaction and many-body perturbation theory calculations without undermining the accuracy of the resulting atomic spectra. Our method makes it possible to saturate the CI matrix in atoms with many valence electrons. We test our method on the five-valence-electron atom tantalum and verify the convergence of the calculated energies. We then apply the method to calculate spectra and isotope shifts of tantalum's superheavy analogue dubnium. Isotope-shift calculations can be used to predict the spectra of superheavy isotopes which may be produced in astrophysical phenomena.

physics.atom-ph↗

arXiv2018

Enhanced nuclear spin dependent parity violation effects using the 199HgH molecule

Electron interactions with the nuclear-spin-dependent (NSD) parity non-conserving (PNC) anapole moment are strongly enhanced within heteronuclear diatomic molecules. A novel, low-energy optical rotation experiment is being proposed with the aim of observing NSD PNC interactions in HgH. Based on the relativistic coupled cluster method we present a complete calculation of the circular polarization parameter $P = 2\,\textrm{Im}(E1_{PNC})/M1 \approx 3 \times 10^{-6}\; κ$ for the $^2Σ_{1/2} \to ^2Π_{1/2}$ optical transition of HgH, where $κ$ is a dimensionless constant determined by the nuclear anapole moment. This provides an improvement in sensitivity to NSD PNC by 2 -- 3 orders of magnitude over the leading atomic Xe, Hg, Tl, Pb and Bi optical rotation experiments, and shows that the proposed measurement will be sensitive enough to extract the $^{199}$Hg anapole moment and shed light on the underlying theory of hadronic parity violation.

physics.atom-ph↗

arXiv2016

Electron recombination with tungsten ions with open f-shells

We calculate the electron recombination rates with target ions W$^{q+}$, $q = 18$ -- $25$, as functions of electron energy and electron temperature (i.e. the rates integrated over the Maxwellian velocity distribution). Comparison with available experimental data for W$^{18+}$, W$^{19+}$, and W$^{20+}$ is used as a test of our calculations. Our predictions for W$^{21+}$, W$^{22+}$, W$^{23+}$, W$^{24+}$, and W$^{25+}$ (where the experimental data are not available) may be used for plasma modelling in thermonuclear reactors. The results for the temperature dependent rates for each ion are fitted with the standard analytical expressions to make them easy to use. All of these ions have an open electron $f$-shell and have an extremely dense spectrum of chaotic many-electron compound resonances which enhance the recombination rates by 2-3 orders of magnitude in comparison with the direct electron recombination. Conventional dielectronic recombination theory is not directly applicable in this case. Instead, we developed a statistical theory based on the properties of chaotic eigenstates. This theory describes a multi-electronic recombination (extension of the dielectronic recombination) via many-excited-electron compound resonances.

physics.atom-ph↗

arXiv2016

Optical spectroscopy of complex open 4$d$-shell ions Sn$^{7+}$-Sn$^{10+}$

We analyze the complex level structure of ions with many-valence-electron open [Kr] 4$d^\textrm{m}$ sub-shells ($\textrm{m}$=7-4) with ab initio calculations based on configuration-interaction many-body perturbation theory (CI+MBPT). Charge-state-resolved optical and extreme ultraviolet (EUV) spectra of Sn$^{7+}$-Sn$^{10+}$ ions were obtained using an electron beam ion trap. Semi-empirical spectral fits carried out with the orthogonal parameters technique and Cowan code calculations lead to 90 identifications of magnetic-dipole transitions and the determination of 79 energy ground-configuration levels, questioning some earlier EUV-line assignments. Our results, the most complete data set available to date for these ground configurations, confirm the ab initio predictive power of CI+MBPT calculations for the these complex electronic systems.

physics.atom-ph↗

arXiv2016

Unexpectedly large difference of the electron density at the nucleus in the 4p $^2$P$_{1/2,3/2}$ fine-structure doublet of Ca$^+$

We measured the isotope shift in the $^2$S$_{1/2}$-$^2$P$_{3/2}$ (D2) transition in singly-ionized calcium ions using photon recoil spectroscopy. The high accuracy of the technique enables us to resolve the difference between the isotope shifts of this transition to the previously measured isotopic shifts of the $^2$S$_{1/2}$-$^2$P$_{1/2}$ (D1) line. This so-called splitting isotope shift is extracted and exhibits a clear signature of field shift contributions. From the data we were able to extract the small difference of the field shift coefficient and mass shifts between the two transitions with high accuracy. This J-dependence is of relativistic origin and can be used to benchmark atomic structure calculations. As a first step, we use several ab initio atomic structure calculation methods to provide more accurate values for the field shift constants and their ratio. Remarkably, the high-accuracy value for the ratio of the field shift constants extracted from the experimental data is larger than all available theoretical predictions.

physics.atom-ph↗

arXiv2016

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

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 $6s \rightarrow 5d^{-1}6s^2$ 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 $α$-dependence of these transitions is calculated and used to reinterpret the existing best laboratory limits on the time-dependence of the fine-structure constant.

physics.atom-ph↗

arXiv2016

QED radiative corrections and many-body effects in atoms: vacuum polarization and binding energy shifts in alkali metals

We calculate vacuum polarization corrections to the binding energies in neutral alkali atoms Na through to the superheavy element E119. We employ the relativistic Hartree-Fock method to demonstrate the importance of relaxation of the electronic core and the correlation potential method to study the effects of second and higher orders of perturbation theory. These many-body effects are sizeable for all orbitals, though particularly important for orbitals with angular momentum quantum number l>0. The orders of magnitude enhancement for d waves produces shifts that, for Rb and the heavier elements, are larger than those for p waves and only an order of magnitude smaller than the s-wave shifts. The many-body enhancement mechanisms that operate for vacuum polarization apply also to the larger self-energy corrections.

physics.atom-ph↗

arXiv2016

Atomic many-body effects and Lamb shifts in alkali metals

We present a detailed study of the Flambaum-Ginges radiative potential method which enables the accurate inclusion of quantum electrodynamics (QED) radiative corrections in a simple manner in atoms, ions, and molecules over the range 10<=Z<=120, where Z is the nuclear charge. Calculations are performed for binding energy shifts to the lowest valence s, p, and d waves over the series of alkali atoms Na to E119. The high accuracy of the radiative potential method is demonstrated by comparison with rigorous QED calculations in frozen atomic potentials, with deviations on the level of 1%. The many-body effects of core relaxation and second- and higher-order perturbation theory on the interaction of the valence electron with the core are calculated. The inclusion of many-body effects tends to increase the size of the shifts, with the enhancement particularly significant for d waves; for K to E119, the self-energy shifts for d waves are only an order of magnitude smaller than the s-wave shifts. It is shown that account of many-body effects is essential for an accurate description of the Lamb shift.

physics.atom-ph↗

arXiv2015

Level-resolved quantum statistical theory of electron capture into many-electron compound resonances in highly charged ions

The strong mixing of many-electron basis states in excited atoms and ions with open $f$ shells results in very large numbers of complex, chaotic eigenstates that cannot be computed to any degree of accuracy. Describing the processes which involve such states requires the use of a statistical theory. Electron capture into these 'compound resonances' leads to electron-ion recombination rates that are orders of magnitude greater than those of direct, radiative recombination, and cannot be described by standard theories of dielectronic recombination. Previous statistical theories considered this as a two-electron capture process which populates a pair of single-particle orbitals, followed by 'spreading' of the two-electron states into chaotically mixed eigenstates. This method is similar to a configuration-average approach, as it neglects potentially important effects of spectator electrons and conservation of total angular momentum. In this work we develop a statistical theory which considers electron capture into 'doorway' states with definite angular momentum obtained by the configuration interaction method. We apply this approach to electron recombination with W$^{20+}$, considering 2 million doorway states. Despite strong effects from the spectator electrons, we find that the results of the earlier theories largely hold. Finally, we extract the fluorescence yield (the probability of photoemission and hence recombination) by comparison with experiment.

physics.atom-ph↗

arXiv2014

Resonance scattering and the passage to bound states in the field of near-black-hole objects

We examine the spectrum of a massive scalar particle interacting with the strong gravitational field of a static, spherically symmetric object which is not quite massive enough to be a black hole. As was found in the case of massless particles, there exists a dense spectrum of long lived resonances (meta-stable states), which leads to an energy-averaged cross section for particle capture which approaches the absorption cross-section for a Schwarzschild black hole. However, the generalisation to non-zero mass introduces new phenomena, along with important qualitative changes to the scattering properties. In contrast to the massless case, there exists a spectrum of bound states with almost identical structure to that of the resonances, allowing for the possibility of radiative transitions and particle capture. The resonance lifetimes for elastic processes are parametrically larger than for massless particles, meaning the absorption cross-section approaches the black hole case faster than for massless scalars.

gr-qc↗

arXiv2014

Do the constants of nature couple to strong gravitational fields?

Recently, white dwarf stars have found a new use in the fundamental physics community. Many prospective theories of the fundamental interactions of Nature allow traditional constants, like the fine structure constant $α$, to vary in some way. A study by Berengut et al. (2013) used the Fe/Ni V line measurements made by Preval et al. (2013) from the hot DA white dwarf G191-B2B, in an attempt to detect any variation in $α$. It was found that the Fe V lines indicated an increasing alpha, whereas the Ni V lines indicated a decreasing alpha. Possible explanations for this could be misidentification of the lines, inaccurate atomic data, or wavelength dependent distortion in the spectrum. We examine the first two cases by using a high S/N reference spectrum from the hot sdO BD+28$^{\circ}$4211 to calibrate the Fe/Ni V atomic data. With this new data, we re-evaluate the work of Berengut et al. (2013) to derive a new constraint on the variation of alpha in a gravitational field.

astro-ph.SR↗

arXiv2014

Resonant scattering of light in a near-black-hole metric

We show that low-energy photon scattering from a body with radius R slightly larger than its Schwarzschild radius r_s resembles black-hole absorption. This absorption occurs via capture to one of the many long-lived, densely packed resonances that populate the continuum. The lifetimes and density of these meta-stable states tend to infinity in the limit r_s -> R. We determine the energy averaged cross-section for particle capture into these resonances and show that it is equal to the absorption cross-section for a Schwarzschild black hole. Thus, a non-singular static metric may trap photons for arbitrarily long times, making it appear completely `black' before the actual formation of a black hole.

gr-qc↗

arXiv2013

Measuring chemical evolution and gravitational dependence of αusing ultraviolet Fe V and Ni V transitions in white-dwarf spectra

In this paper, we present the details of the ab initio high-precision configuration interaction and many-body perturbation theory calculations that were used in a previous work to place limits on the dependence of the fine-structure constant, alpha, on the gravitational field of the white-dwarf star G191-B2B. These calculations were combined with laboratory wavelengths and spectra from the Hubble Space Telescope Imaging Spectrograph to obtain limits on the gravitational alpha-dependence using Fe V and Ni V transitions. The uncertainty in these results are dominated by the uncertainty in the laboratory wavelengths. In this work we also present ab initio calculations of the isotopic shifts of the Fe V transitions. We show that improved laboratory spectra will enable determination of the relative isotope abundances in Fe V to an accuracy ~20%. Therefore this work provides a strong motivation for new laboratory measurements.

physics.atom-ph↗

arXiv2013

Limits on the dependence of the fine-structure constant on gravitational potential from white-dwarf spectra

We propose a new probe of the dependence of the fine structure constant, alpha, on a strong gravitational field using metal lines in the spectra of white dwarf stars. Comparison of laboratory spectra with far-UV astronomical spectra from the white dwarf star G191-B2B recorded by the Hubble Space Telescope Imaging Spectrograph gives limits on the fractional variation of alpha of (Delta alpha/alpha)=(4.2 +- 1.6)x10^(-5) and (-6.1 +- 5.8)x10^(-5) from Fe V and Ni V spectra, respectively, at a dimensionless gravitational potential relative to Earth of (Delta phi) ~ 5x10^(-5). With better determinations of the laboratory wavelengths of the lines employed these results could be improved by up to two orders of magnitude.

astro-ph.CO↗

arXiv2013

Varying the light quark mass: impact on the nuclear force and Big Bang nucleosynthesis

The quark mass dependences of light element binding energies and nuclear scattering lengths are derived using chiral perturbation theory in combination with non-perturbative methods. In particular, we present new, improved values for the quark mass dependence of meson resonances that enter the nuclear force. A detailed analysis of the theoretical uncertainties arising in this determination is presented. As an application we derive from a comparison of observed and calculated primordial deuterium and helium abundances a stringent limit on the variation of the light quark mass, $δm_q/m_q = 0.02 \pm 0.04$. Inclusion of the neutron lifetime modification under the assumption of a variation of the Higgs vacuum expectation value that translates into changing quark, electron, and weak gauge boson masses, leads to a stronger limit, $|δm_q/m_q| < 0.009$.

nucl-th↗

arXiv2013

Dense spectrum of resonances and spin-1/2 particle capture in a near-black-hole metric

We show that a spin-1/2 particle in the gravitational field of a massive body of radius R which slightly exceeds the Schwarzschild radius r_s, possesses a dense spectrum of narrow resonances. Their lifetimes and density tend to infinity in the limit R -> r_s. We determine the cross section of the particle capture into these resonances and show that it is equal to the spin-1/2 absorption cross section for a Schwarzschild black hole. Thus black-hole properties may emerge in a non-singular static metric prior to the formation of a black hole.

gr-qc↗

arXiv2012

Bound states of spin-half particles in a static gravitational field close to the black hole field

We consider the bound-state energy levels of a spin-1/2 fermion in the gravitational field of a near-black hole object. In the limit that the metric of the body becomes singular, all binding energies tend to the rest-mass energy (i.e. total energy approaches zero). We present calculations of the ground state energy for three specific interior metrics (Florides, Soffel and Schwarzschild) for which the spectrum collapses and becomes quasi-continuous in the singular metric limit. The lack of zero or negative energy states prior to this limit being reached prevents particle pair production occurring. Therefore, in contrast to the Coulomb case, no pairs are produced in the non-singular static metric. For the Florides and Soffel metrics the singularity occurs in the black hole limit, while for the Schwarzschild interior metric it corresponds to infinite pressure at the centre. The behaviour of the energy level spectrum is discussed in the context of the semi-classical approximation and using general properties of the metric.

gr-qc↗

arXiv2012

Revisiting parity non-conservation in cesium

We apply the sum-over-states approach to calculate partial contributions to the parity non-conservation (PNC) in cesium [Porsev {\em et al}, Phys. Rev. D {\bf 82}, 036008 (2010)]. We have found significant corrections to two non-dominating terms coming from the contribution of the core and highly excited states ($n>9$, the so called {\em tail}). When these differences are taken into account the result of Porsev {\em et al}, $E_{\rm PNC} = 0.8906\,(24) \times 10^{-11}i(-Q_W/N)$ changes to $0.8977\,(40)$, coming into good agreement with our previous calculations, $0.8980\,(45)$. The interpretation of the PNC measurements in cesium still indicates reasonable agreement with the standard model ($1.5\,σ$), however gives new constraints on physics beyond it.

hep-ph↗