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At least 37 records · Page 2

Beyond the electric-dipole approximation in simulations of x-ray absorption spectroscopy: Lessons from relativistic theory

Herein we present three schemes to go beyond the electric-dipole approximation in x-ray absorption spectroscopy calculations within a four-component relativistic framework. The first is based on the full semi-classical light–matter interaction operator and the two others on a truncated interaction within the Coulomb gauge (velocity representation) and multipolar gauge (length representation). We generalize the derivation of the multipolar gauge to an arbitrary expansion point and show that the potentials corresponding to different expansion points are related by a gauge transformation, provided that the expansion is not truncated. This suggests that the observed gauge-origin dependence in the multipolar gauge is more than just a finite-basis set effect. The simplicity of the relativistic formalism enables arbitrary-order implementations of the truncated interactions, with and without rotational averaging, allowing us to test their convergence behavior numerically by comparison to the full formulation. We confirm the observation that the oscillator strength of the electric-dipole allowed ligand K -edge transition of TiCl 4 , when calculated to the second order in the wave vector, becomes negative but also show that inclusion of higher-order contributions allows convergence to the result obtained using the full light–matter interaction. However, at higher energies, the slow convergence of such expansions becomes dramatic and renders such approaches at best impractical. When going beyond the electric-dipole approximation, we therefore recommend the use of the full light–matter interaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electric Dipole Polarizability of Ca 48 and Implications for the Neutron Skin

The electric dipole strength distribution in 48 Ca between 5 and 25 MeV has been determined at RCNP, Osaka, from proton inelastic scattering experiments at forward angles. Combined with photoabsorption data at higher excitation energy, this enables the rst extraction of the electric dipole polarizability D( 48 Ca) = 2:07(22) fm 3 . Remarkably, the dipole response of 48 Ca is found to be very similar to that of 40 Ca, consistent with a small neutron skin in 48 Ca. The experimental results are in good agreement with ab initio calculations based on chiral e ective eld theory interactions and with state-of-the-art density-functional calculations, implying a neutron skin in 48 Ca of 0:14 - 0:20 fm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Comparison of electric dipole and magnetic loop antennas for exciting whistler modes

The excitation of low frequency whistler modes from different antennas has been investigated experimentally in a large laboratory plasma. One antenna consists of a linear electric dipole oriented across the uniform ambient magnetic field B{sub 0}. The other antenna is an elongated loop with dipole moment parallel to B{sub 0}. Both antennas are driven by the same rf generator which produces a rf burst well below the electron cyclotron frequency. The antenna currents as well as the wave magnetic fields from each antenna are measured. Both the antenna currents and the wave fields of the loop antenna exceed that of the electric dipole by two orders of magnitude. The conclusion is that loop antennas are far superior to dipole antennas for exciting large amplitude whistler modes, a result important for active wave experiments in space plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

On the He–McKellar–Wilkens phase of an electric dipole

The He–McKellar–Wilkens (HMW) phase of an electric dipole moving in a static magnetic field is derived by explicitly considering the interaction between the currents associated with the moving dipole and the magnetic vector potential. Conditions for the observation of the HMW phase in different field configurations are investigated. A practical setup is proposed that provides essentially a radial magnetic field with inverse radial dependence for the observation of the HMW phase with magnetic field alone. Possible magnetic field control of exciton current in an open ring setup is discussed. - Highlights: • Conditions for the observation of the HMW phase in different field configurations are investigated. • A practical setup is proposed that for the observation of the HMW phase with magnetic field alone. • Possible magnetic field control of exciton current in an open ring setup is discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Experimental study of electric dipoles on an oxygen-adsorbed Si(100)-2 × 1 surface by non-contact scanning nonlinear dielectric microscopy

Oxygen-adsorption on a Si(100)-2 × 1 surface is investigated by using non-contact scanning nonlinear dielectric microscopy (NC-SNDM). On the Si(100)-2 × 1 surface exposed to oxygen (O{sub 2}) gas at room temperature, several variations in atomic configuration and electric dipole moment of dimers are observed. Models are proposed for oxygen adsorption which are consistent with the topographies and electric dipole moment distributions obtained by NC-SNDM.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Contribution of relativistic quantum chemistry to electron’s electric dipole moment for CP violation

The search for the electric dipole moment of the electron (eEDM) is important because it is a probe of Charge Conjugation-Parity (CP) violation. It can also shed light on new physics beyond the standard model. It is not possible to measure the eEDM directly. However, the interaction energy involving the effective electric field (E{sub eff}) acting on an electron in a molecule and the eEDM can be measured. This quantity can be combined with E{sub eff}, which is calculated by relativistic molecular orbital theory to determine eEDM. Previous calculations of E{sub eff} were not sufficiently accurate in the treatment of relativistic or electron correlation effects. We therefore developed a new method to calculate E{sub eff} based on a four-component relativistic coupled-cluster theory. We demonstrated our method for YbF molecule, one of the promising candidates for the eEDM search. Using very large basis set and without freezing any core orbitals, we obtain a value of 23.1 GV/cm for E{sub eff} in YbF with an estimated error of less than 10%. The error is assessed by comparison of our calculations and experiments for two properties relevant for E{sub eff}, permanent dipole moment and hyperfine coupling constant. Our method paves the way to calculate properties of various kinds of molecules which can be described by a single-reference wave function.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Axion Induced Oscillating Electric Dipole Moment of the Electron

A cosmic axion, via the electromagnetic anomaly, induces an oscillating electric dipole for the electron of frequency ma and strength ~(few) x 10 -32 e-cm, two orders of magnitude above the nucleon, and within a few orders of magnitude of the present standard model constant limit. We give a detailed study of this phenomenon via the interaction of the cosmic axion, through the electromagnetic anomaly, with particular emphasis on the decoupling limit of the axion, ∂ t a(t) ∝ m α → 0. The analysis is subtle, and we find the general form of the action involves a local contact interaction and a nonlocal contribution, analogous to the “transverse current” in QED, that enforces the decoupling limit. We carefully derive the effective action in the Pauli-Schroedinger non-relativistic formalism, and in Georgi’s heavy quark formalism adapted to the “heavy electron” (m e >> m a ). We compute the electric dipole radiation emitted by free electrons, magnets and currents, immersed in the cosmic axion field, and discuss experimental configurations that may yield a detectable signal.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

New Experiment to Measure the Electron Electric Dipole Moment

An electron can possess an electric dipole moment (edm) only if time reversal symmetry (T) is violated. No edm of any particle has yet been discovered. CP-violation, equivalent to T-violation by the CPT theorem, does occur in Kaon decays and can be accounted for by the standard model. However, this mechanism leads to an electron edm d(sub e) of the order of 10(exp -38) e cm, whereas the current experimental bound on d(sub e) is about 10(exp -27) e cm. However, well-motivated extensions of the standard model such as supersymmetric theories do predict that de could be as large as the current bound. In addition, CP violation in the early universe is required to explain the preponderance of matter over anti-matter, but the exact mechanism of this CP violation is unclear. For these reasons, we are undertaking a new experimental program to determine de to an improved accuracy of 10(exp -29) e cm. Our experiment will use laser-cooled, trapped Cesium atoms to measure the atomic edm d(sub Cs) that occurs if d(sub e) is not zero. In order to do this, we will measure the energy splitting between the atoms spin states in parallel electric and magnetic fields. The signature of an edm would be a linear dependence of the splitting on the electric field E due to the interaction - d(sub Cs) dot E. Our measurement will be much more sensitive than previous measurements because atoms can be stored in the trap for tens of seconds, allowing for much narrower Zeeman resonance linewidths. Also, our method eliminates the most important systematic errors, proportional to atomic velocity, which have limited previous experiments. In this presentation, we will describe the design of our new apparatus, which is presently under construction. An important feature of our experimental apparatus is that magnetic field noise will be suppressed to a very low value of the order of 1 fT/(Hz)1/2. This requires careful attention to the Johnson noise currents in the chamber, which have not been important in previous experiments. In addition we will present estimates of the limits of the various errors that we expect for our experiment.

Kittle, Melanie↗

Theoretical prediction and impact of fundamental electric dipole moments

The predicted Standard Model (SM) electric dipole moments (EDMs) of electrons and quarks are tiny, providing an important window to observe new physics. Theories beyond the SM typically allow relatively large EDMs. The EDMs depend on the relative phases of terms in the effective Lagrangian of the extended theory, which are generally unknown. Underlying theories, such as string/M-theories compactified to four dimensions, could predict the phases and thus EDMs in the resulting supersymmetric (SUSY) theory. Earlier one of us, with collaborators, made such a prediction and found, unexpectedly, that the phases were predicted to be zero at tree level in the theory at the unification or string scale ~O(10 16 GeV). Electroweak (EW) scale EDMs still arise via running from the high scale, and depend only on the SM Yukawa couplings that also give the CKM phase. Here we extend the earlier work by studying the dependence of the low scale EDMs on the constrained but not fully known fundamental Yukawa couplings. The dominant contribution is from two loop diagrams and is not sensitive to the choice of Yukawa texture. The electron EDM should not be found to be larger than about 5 × 10 –30 e cm, and the neutron EDM should not be larger than about 5 × 10 –29 e cm. These values are quite a bit smaller than the reported predictions from Split SUSY and typical effective theories, but much larger than the Standard Model prediction. Also, since models with random phases typically give much larger EDMs, it is a significant testable prediction of compactified M-theory that the EDMs should not be above these upper limits. The actual EDMs can be below the limits, so once they are measured they could provide new insight into the fundamental Yukawa couplings of leptons and quarks. As a result, we comment also on the role of strong CP violation. EDMs probe fundamental physics near the Planck scale.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Electric dipole polarizability from first principles calculations

The electric dipole polarizability quantifies the low-energy behavior of the dipole strength and is related to critical observables such as the radii of the proton and neutron distributions. Its computation is challenging because most of the dipole strength lies in the scattering continuum. In our paper we combine integral transforms with the coupled-cluster method and compute the dipole polarizability using bound-state techniques. Furthermore, employing different interactions from chiral effective field theory, we confirm the strong correlation between the dipole polarizability and the charge radius, and study its dependence on three-nucleon forces. Finally, we find good agreement with data for the 4 He, 40 Ca, and 16 O nuclei, and predict the dipole polarizability for the rare nucleus 22 O.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The permanent electric dipole moment of chromium monoxide

The permanent electric dipole moments for the X 5Pi and B 5pi states of gas-phase CrO have been experimentally determined using the sub-Doppler optical technique of intermodulated fluorescence spectroscopy in conjunction with the Stark effect. The measured values are 3.88 + or - 0.13 and 4.1 + or - 1.8 D for the X and B states, respectively. The theoretical values determined for the X state using multireference CI iterative-natural-orbital and finite-field calculations are in excellent agreement with the experimental value.

Steimle, Timothy C.↗

An improved direct limit on the muon electric dipole moment

A limit on the permanent electric dipole moment (EDM) of the positive muon is presented based on data from the Fermilab Muon g-2 Experiment taken between 2019 and 2020. The tracking detectors measure the average vertical decay angle of positrons from muon decays, enabling a search for an interaction between a possible muon EDM $d_μ$ and the lab-frame magnetic field. The result, $d_μ= (-0.35 \pm 0.19_{\mathrm{stat}} \pm 0.34_{\mathrm{sys}}) \times10^{-19}~e\cdot$cm, is consistent with zero and sets a new direct limit on the muon EDM of $|d_μ|<1.10\times10^{-19}~e\cdot$cm at the 95 percent confidence level.

Aguillard, D. P. [Michigan U.] (ORCID:000000025556↗

Lattice calculation of electric dipole moments and form factors of the nucleon

In this paper, we analyze commonly used expressions for computing the nucleon electric dipole form factors (EDFF) $F_3$ and moments (EDM) on a lattice and find that they lead to spurious contributions from the Pauli form factor $F_2$ due to inadequate definition of these form factors when parity mixing of lattice nucleon fields is involved. Using chirally symmetric domain wall fermions, we calculate the proton and the neutron EDFF induced by the CP-violating quark chromo-EDM interaction using the corrected expression. In addition, we calculate the electric dipole moment of the neutron using a background electric field that respects time translation invariance and boundary conditions, and we find that it decidedly agrees with the new formula but not the old formula for $F_3$. In conclusion, we analyze some selected lattice results for the nucleon EDM and observe that after the correction is applied, they either agree with zero or are substantially reduced in magnitude, thus reconciling their difference from phenomenological estimates of the nucleon EDM.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Electric dipole moment constraints on CP-violating heavy-quark Yukawas at next-to-leading order

Electric dipole moments are sensitive probes of new phases in the Higgs Yukawa couplings. We calculate the complete two-loop QCD anomalous dimension matrix for the mixing of CP-odd scalar and tensor operators and apply our results for a phenomenological study of CP violation in the bottom and charm Yukawa couplings. We find large shifts of the induced Wilson coefficients at next-to-leading-logarithmic order. Using the experimental bound on the electric dipole moments of the neutron and mercury, we update the constraints on CP-violating phases in the bottom and charm quark Yukawas.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Beyond the electric-dipole approximation: A formulation and implementation of molecular response theory for the description of absorption of electromagnetic field radiation

We present a formulation of molecular response theory for the description of a quantum mechanical molecular system in the presence of a weak, monochromatic, linearly polarized electromagnetic field without introducing truncated multipolar expansions. The presentation focuses on a description of linear absorption by adopting the energy-loss approach in combination with the complex polarization propagator formulation of response theory. Going beyond the electric-dipole approximation is essential whenever studying electric-dipole-forbidden transitions, and in general, non-dipolar effects become increasingly important when addressing spectroscopies involving higher-energy photons. These two aspects are examined by our study of the near K-edge X-ray absorption fine structure of the alkaline earth metals (Mg, Ca, Sr, Ba, and Ra) as well as the trans-polyenes. In following the series of alkaline earth metals, the sizes of non-dipolar effects are probed with respect to increasing photon energies and a detailed assessment of results is made in terms of studying the pertinent transition electron densities and in particular their spatial extension in comparison with the photon wavelength. Along the series of trans-polyenes, the sizes of non-dipolar effects are probed for X-ray spectroscopies on organic molecules with respect to the spatial extension of the chromophore.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Enhanced Electric Dipole Strength for the Weakly Bound States in Ne 27

In this paper, an enhanced low-energy electric dipole (E1) strength is identified for the weakly bound excited states of the neutron-rich isotope 27 Ne. The Doppler-shift lifetime measurements employing a combination of the γ-ray tracking array GRETINA, the plunger device, and the S800 spectrograph determine the lower limit of 0.030 e 2 fm 2 or 0.052 W.u. for the 1/2 + → 3/2 – E1 transition in 27 Ne, representing one of the strongest E1 strengths observed among the bound discrete states in this mass region. This value is at least 30 times larger than that measured for the 3/2 – decay to the 3/2 + gs ground state. A comparison of the present results to large-scale shell-model calculations points to an important role of core excitations and deformation in the observed E1 enhancement, suggesting a novel example of the electric dipole modes manifested in weakly bound deformed systems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗