Polarization Contribution Research Articles

Time-kernel for lattice determinations of NLO hadronic vacuum polarization contributions to the muon g-2

We study the time-momentum representation of the kernel needed to compute the hadronic vacuum polarization contribution to the muon g-2 in the space-like region at next-to-leading order. For small values of the time, we present analytical series expansions; for large values of the time, we present numerical series expansions which overcome the problems showed by naïve asymptotic expansions. These results are to be employed in lattice QCD determination of the hadronic vacuum polarization contribution to the muon g-2 at next-to-leading order.

Chitosan/Microcrystalline Cellulose Overlaid rGO/Fe3O4 Films: Broadband Dielectric Spectroscopy Investigations

Hybrid and straightforward inorganic/organic composites that can be used simultaneously for energy storage are reported. Films from chitosan (Cs) with microcrystalline cellulose (MCC) implanted with reduced graphene oxide (rGO) and/or magnetic Fe3O4 nanoparticles were fabricated. The reinforcement of the Cs/MCC films with rGO and /or Fe3O4 was studied through Fourier transform infrared spectroscopy, X-ray diffraction, thermogravimetric analysis, and scanning electron microscopy with energy dispersive electron spectroscopy. In addition, their magnetic, conductivity, dielectric constant, and dielectric loss behaviors were studied. The magnetic investigations of the two films loaded with Fe3O4 have supper paramagnetic behavior. The saturation magnetization was decreased with the presence of rGO. At lower frequencies, the contribution of charge transport and interfacial polarization causes a sudden and nearly linear increase in permittivity with decreasing frequency. Unfortunately, no indication of electrode polarization was found, which reduces the ability of the prepared composition to store electrical energy. The electric modulus representation was employed to determine the relaxation time of the interfacial polarization quantitatively and numerically. No indication of electrode polarization was found.

Modulation of sensory input to the spinal cord: Contribution of focal epidural polarization and of GABA released by interneurons and glial cells.

Modulation of input from primary afferent fibres has long been examined at the level of the first relays of these fibres. However, recent studies reveal that input to the spinal cord may also be modulated at the level of the very entry of afferent fibres to the spinal grey matter before action potentials in intraspinal collaterals of afferent fibres reach their target neurons. Such modulation greatly depends on the actions of GABA via extrasynaptic membrane receptors. In the reported study we hypothesized that the increase in excitability of afferent fibres following epidural polarization close to the site where collaterals of afferent fibres leave the dorsal columns is due to the release of GABA from two sources: not only GABAergic interneurons but also glial cells. We present evidence, primo, that GABA released from both these sources contributes to a long-lasting increase in the excitability and a shortening of the refractory period of epidurally stimulated afferent fibres and, secondo, that effects of epidural polarization on the release of GABA are more critical for these changes than direct effects of DC on the stimulated fibres. The experiments were carried out in deeply anaesthetized rats in which changes in compound action potentials evoked in hindlimb peripheral nerves by dorsal column stimulation were used as a measure of the excitability of afferent fibres. The study throws new light on the modulation of input to spinal networks but also on mechanisms underlying the restoration of spinal functions.

Investigation of Ga–Nb co-doped barium strontium titanate ceramics for DC-bias free dielectrics

The Ba0.8Sr0.2Ti1−2x Ga x Nb x O3 (0 ≤ x ≤ 0.10) ceramics were fabricated and the electrical properties were evaluated regarding DC-bias and temperature characteristics of the dielectric properties. The ceramics with x = 0.10 exhibited a stable dielectric constant with a change of–40% within 25 °C–150 °C. The dielectric loss of all the co-doped ceramics was below 2% within 25 °C–200 °C. The Ba0.8Sr0.2Ti1−2x Ga x Nb x O3 ceramics showed a higher dielectric constant with a lower DC-bias dependence as compared to previous study on co-doped BaTiO3 ceramics. The Ba0.8Sr0.2Ti0.20Ga0.10Nb0.10O3 ceramics exhibited the best results of DC-bias dependence ≈−24%, dielectric constant at 100 kV cm−1 ≈ 560, and the dielectric constant at 0 kV cm−1 ≈ 735. The better results for the Ga–Nb co-doped BST ceramics might be due to the higher contribution of the ionic polarization in the BST base matrix resulting in a shallower potential energy curve.

QCD bounds on leading-order hadronic vacuum polarization contributions to the muon anomalous magnetic moment

QCD bounds on the leading-order (LO) hadronic vacuum polarization (HVP) contribution to the anomalous magnetic moment of the muon [aμHVP,LO, aμ=(g−2)μ/2] are determined by imposing Hölder inequalities and related inequality constraints on systems of finite-energy QCD sum rules. This novel methodology is complementary to lattice QCD and data-driven approaches to determining aμHVP,LO. For the light-quark (u, d, s) contributions up to five-loop order in perturbation theory in the chiral limit, LO in light-quark mass corrections, next-to-leading order in dimension-four QCD condensates, and to LO in dimension-six QCD condensates, we find that (657.0±34.8)×10−10≤aμHVP,LO≤(788.4±41.8)×10−10, bridging the range between lattice QCD and data-driven values. Published by the American Physical Society 2024

Mn doping as a simple strategy for improving energy storage in BaBi4Ti4O15 thin films

To obtain high energy storage density in ferroelectric films, polarization and breakdown field Eb are two crucial factors. The inversely coupled relationship between polarization and Eb is commonly observed and it remains a challenge to realize high Eb without deteriorating polarization. Selecting a suitable element doping should largely enhance the Eb since of the optimization of microstructures as well as the decrease in defects, meanwhile the doping should induce extra polarization contribution from lattice distortion. In this work, we reported that Eb can be largely enhanced via Mn doping in BaBi4Ti4O15 thin films due to grain refining, densification, and oxygen vacancy reduction. Interestingly, the polarization is not deteriorated since of the Mn doping effect induced extra polarization from the lattice distortion. Consequently, an ultrahigh energy storage density of 96 J/cm3 with a high efficiency of 76.6% was achieved in BaBi4Ti3.95Mn0.05O15 thin films with excellent stability and reliability. This work will provide a simple and effective route to improve the energy storage in dielectric capacitors.

Inclusion of Water Multipoles into the Implicit Solvation Framework Leads to Accuracy Gains.

The current practical "workhorses" of the atomistic implicit solvation─the Poisson-Boltzmann (PB) and generalized Born (GB) models─face fundamental accuracy limitations. Here, we propose a computationally efficient implicit solvation framework, the Implicit Water Multipole GB (IWM-GB) model, that systematically incorporates the effects of multipole moments of water molecules in the first hydration shell of a solute, beyond the dipole water polarization already present at the PB/GB level. The framework explicitly accounts for coupling between polar and nonpolar contributions to the total solvation energy, which is missing from many implicit solvation models. An implementation of the framework, utilizing the GAFF force field and AM1-BCC atomic partial charges model, is parametrized and tested against the experimental hydration free energies of small molecules from the FreeSolv database. The resulting accuracy on the test set (RMSE ∼ 0.9 kcal/mol) is 12% better than that of the explicit solvation (TIP3P) treatment, which is orders of magnitude slower. We also find that the coupling between polar and nonpolar parts of the solvation free energy is essential to ensuring that several features of the IWM-GB model are physically meaningful, including the sign of the nonpolar contributions.

Molecular Hydrogen Acts as a Hydrogen Bond Proton Acceptor: From Protonated Betaine Tagging to the Weakest Hydrogen Bond.

In an attempt to gain further insights into the intermolecular interactions implied by Rizzo's group's cautionary tale related to molecular tagging in infrared multiple photon dissociation (IRMPD) spectroscopy with molecular messengers [Masson, A. . J. Chem. Phys. 2015, 143, 104313], in the present study, we provide an in-depth analysis of the noncovalent interaction between the molecular hydrogen and protonated betaine molecule in the gas phase. We aim to shed some new light on the fundamental issues concerning the wide diapason of hydrogen-bonding-type intermolecular interactions, with a wide variety of proton acceptors. We demonstrate that in the course of tagging the protonated betaine with molecular hydrogen from the OH group side, it is the σ bond of molecular hydrogen that plays the role of hydrogen-bonding proton acceptor. The tagging thus induces a small yet significant red shift of the protonated betaine O-H stretching mode. We investigate the performance of a wide range of density functional theory (DFT) functionals for the calculation of anharmonic vibrational frequency shifts of the studied system, which are essential for the correct interpretation of the experimental IRMPD data. For an accurate prediction of the OH stretching frequency shifts, specifically designed functionals such as Handy's group HCTH/407 should be applied. The empirical dispersion correction enhances the systematic overestimation of the anharmonic frequency shift, characteristic of the most widely used DFT functionals. Combining the full-wave function approach with the charge field perturbation and natural bond orbital (NBO) deletion analyses, we demonstrate that the frequency shift in the OH-tagged structure is governed by the σHH → σ*OH intermolecular charge transfer. This interaction stabilizes the OH-tagged dimer as well, in contrast to the dipole-quadrupole electrostatic interaction energy term. Topological analysis of the electron density reveals the presence of an intermolecular bond critical point with a positive value of the density Laplacian very close to the lower limit for hydrogen bonds. NCI analyses demonstrate that the OH···H2 interaction is weaker than the intramolecular CH···O one within the protonated betaine molecule, with the through of reduced density gradient appearing at less negative sign(λ2)·ρ values. Analyzing the O-H stretching vibrational potential with the second-generation absolutely localized molecular orbitals energy decomposition analysis (ALMO-EDA 2) revealed that in the case of betaineH(+) tagged from the OH group side, the permanent electrostatics (ΔEelec), polarization (ΔEpol), and charge-transfer (ΔEct) contributions to the total intermolecular interaction energy contribute favorably to the weak hydrogen bond formation and to the red shift of the fundamental O-H stretching frequency, the ΔEct contribution being the most significant in the last context. The Pauli repulsion term, on the other hand, favors an O-H stretching frequency blue shift as a consequence of the vibrational confinement effects.

La3+ ion doped Cd0.5C0.5LaxFe2-xO4 nanomagnetic materials for high-frequency device applications

The sol-gel self-combustion technique was applied to form Cd–Co-based La-doped (Cd0.5Co0.5LaxFe2-xO4) spinel ferrite nanoparticles. A series of six samples was synthesized by varying lanthanum content from x = 0.00 to 0.20. The structural characteristics of the prepared nanoparticles were carried out using X-ray diffraction (XRD) analysis. The (311) plane verified that the prepared nanomaterials are in the spinel phase in all observed XRD patterns. The crystallite size for each sample was determined using the Scherrer formula found in the 8.7–17.8 nm range, which is well correlated with the SSP model. The crystallite size decreased while the lattice constant increased from 8.38 to 8.45 Å with increasing La-content. The increasing trend in the bulk density and X-ray density has been analyzed with the effects of La3+ contents. In Fourier-transform infrared spectroscopy (FTIR), the high-frequency absorption band (υ1) was found from 522.15 to 541.06 cm−1, whereas the low-frequency band (υ2) varied from 419.80 to 414.31 cm−1. The surface morphology was carried out by scanning electron microscope (SEM), which positively correlated with XRD analysis. Impedance analyzer (IA) assisted in observing the variations in complex dielectric properties of the compound in the frequency range from 1 MHz to 3 GHz. The dielectric constant and impedance plots depicted that the nano ferrites have good dielectric properties in low-frequency regions due contribution of polarization. While conduction can be made possible in the high-frequency areas as observed through AC conductivity. The electric modulus revealed the relaxation phenomenon at high frequency due to the hopping of electrons at the octa and tetrahedral sites. The magnetic properties were investigated to study the impact of La3+ ion under the applied magnetic field from −15 to 15 kOe. The saturation magnetization, and magnetic remanence were found from 40.6 to 27.7 emu/g and 19.6 to 2.7 emu/g, respectively. The synthesized nanoparticles can be utilized for microwave applications and magnetic storage devices.

Electromagnetic interference shielding and DFT study of barium hexaferrites nanoparticles coated polyaniline with heterointerface polarization behavior

Barium-hexaferrite-nanoparticles (BHNs) and polyaniline-nanoparticles (PNs) were prepared individually with average particle sizes of 50 nm and 42 nm. The two nanoparticles were then combined to create hybrid nanoparticles (HNs) with a ferritic core and a conductive surface, by chemically coating polyaniline onto the surface of BHNs via in-situ polymerization. The nanoparticle shape, size, structural, and morphological properties were analyzed using SEM, XRD, and PSA. The nanoparticles were dispersed into a PVDF matrix to produce nanocomposite-films (NFs) for testing EMI shielding effectiveness. The NFs exhibited excellent blocking of near infrared radiation and a shielding effectiveness of more than 50 dB in the microwave region when 30 wt% of HNs was used in the PVDF matrix. Density-function-theory (DFT) based on first-principle was used to confirm the interfacial polarization contribution at the heterointerface, revealing different electron occupied states and considerable charge transfer and accumulation at the interface, enhancing the EMI shielding effectiveness.

Synthesis of multiple layers of alternating ZnO and TiO2 using atomic layer deposition and their optical characterization

We report the optical characterization of bi-layer and quadri-layers of TiO2/ZnO transparent oxide films having a net thickness of 100 nm. The atomic layer deposition (ALD) was used to grow these multiple-layered films. We examined their optical properties to understand the impact of the number of layers. The grazing incidence X-ray diffraction (GIXRD) was used to assess the microstructure of the films, which showed that the ZnO layers were polycrystalline, while the TiO2 layers were (X-ray) amorphous. The optical transmission and reflection spectra of the investigated films were recorded in the range of 150–2500 nm at room temperature. The refractive index (n), extinction coefficient (k), real and imaginary parts of the dielectric constant, optical conductivity, and loss factor agree well with those of other amorphous oxides. It was established that the indirect allowed optical transitions are favorable and the optical gap (Eg) increases from 3.03 eV to 3.14 eV as the number of layers increases. The contribution of polarizability (ξ) and electrical susceptibility (χe) to the dielectric constant was also discussed. The relation between the relative density (D) and the porosity (Pro) with the crystalline quality, layer thickness, and the number of layers was also estimated. The results obtained from the study of TiO2/ZnO multilayer films indicate that multilayer thin films improve the quality of film crystallinity and optical properties with the increase of the layers numbers, and could guide the development of potential applications.

Microstructure, bonding characteristics, far-infrared spectra and microwave dielectric properties of co-substituted Ce2[(Zr1-x(Zn1/3Sb2/3)x]3(MoO4)9 ceramics

In this contribution, Ce2[(Zr1-x(Zn1/3Sb2/3)x]3(MoO4)9 (CZ1−x(ZS)x) (0 ≤ x ≤ 0.1) ceramics were fabricated using the solid-state reaction method, and the phase composition of the synthesized ceramics was analyzed via XRD and Rietveld refinement. The outcomes revealed that the ceramics, characterized by different x values, constituted a solitary phase with an R-3C space group, and the cell volume demonstrated a decrease with an increase in x value. The examination of the ceramics microwave dielectric characteristics using P–V−L theory reveals that the fi(Ce–O(6)) bond was found to be related to εr, while Q × f was influenced by the average grain size and Uave.(Mo–O), and Eave.(Mo–O) and αave.(Mo–O) were related to the τf value. The optimal properties were achieved at 750 °C (x = 0.02), resulting in εr = 10.08, Q × f = 100,954 GHz, τf = −12.46 ppm/°C. The infrared reflection spectrum analysis revealed that the primary polarization contribution was due to the dielectric response of intrinsic phonons. Additionally, the effects of three different complex ions (Zn1/2Sb2/3)4+, (Zn1/2Ta2/3)4+, and (Zn1/2Nb2/3)4+ doping on the properties of Ce2Zr3(MoO4)9 ceramics were investigated using SEM, packing fraction, and chemical bond analysis. The results showed that (Zn1/2Sb2/3)4+ doping was effective in improving the grain size and apparent density of Ce2Zr3(MoO4)9 ceramics, and the high packing fraction and U(Mo–O) were found to be the primary intrinsic factors for the optimal properties.

Chain-Like Semiconductive Fillers for Dielectric Enhancement and Loss Reduction of Polymer Composites.

Dielectric loss is a crucial factor in determining the long-term endurance for security and energy loss of dielectric composites. Here, chain-like semiconductive fibers of titanium oxide, indium, and niobium-doped titanium oxide are used for enhancing the complex dielectric properties of a polymer through composite construction, which involves significant interface enhancements. The chain-like fibers significantly enhance the dielectric constant owing to the special morphology of the fillers and their interfacial polarization, especially at higher temperatures. The dielectric loss and electrical conductivity of the composites are substantially reduced across the entire investigated temperature range, achieved by passivating the fiber surface with an alumina shell using atomic layer deposition. The as-deposited alumina shell transformed from an amorphous to a crystalline phase through thermal annealing results in a porous shell and more effective suppression of the loss tangent and electrical conductivity. A plausible mechanism for loss suppression is associated with carrier movement along the surface of the fibers and bulk, leading to a higher loss tangent. The alumina shell blocks the carrier transport path, particularly at the interfaces, resulting in a reduced interfacial polarization contribution and energy storage loss. This study provides a method for inhibiting dielectric loss by fabricating fillers with special surfaces.

Hadronic vacuum polarization in the muon g − 2: the short-distance contribution from lattice QCD

We present results for the short-distance window observable of the hadronic vacuum polarization contribution to the muon g – 2, computed via the time-momentum representation (TMR) in lattice QCD. A key novelty of our calculation is the reduction of discretization effects by a suitable subtraction applied to the TMR kernel function, which cancels the leading \\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$${x}_{0}^{4}$$\\end{document}-behaviour at short distances. To compensate for the subtraction, one must substitute a term that can be reliably computed in perturbative QCD. We apply this strategy to our data for the vector current collected on ensembles generated with 2 + 1 flavours of O(a)-improved Wilson quarks at six values of the lattice spacing and pion masses in the range 130 – 420 MeV. Our estimate at the physical point contains a full error budget and reads \\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$${\\left({a}_{\\mu }^{{\ ext{hvp}}}\\right)}^{{\ ext{SD}}}$$\\end{document} = 68.85(14)stat (42)syst·10−10, which corresponds to a relative precision of 0.7%. We discuss the implications of our result for the observed tensions between lattice and data-driven evaluations of the hadronic vacuum polarization.

Analysis of the Dielectric Properties of Alkali-Free Aluminoborosilicate Glasses by Considering the Contributions of Electronic and Ionic Polarizabilities in the GHz Frequency Range.

Recently, the investigation of the dielectric properties of glasses in the GHz frequency range has attracted great interest for use in printed circuit boards (PCBs) as a reinforcing material in the application of high-speed 5G/6G communications. In particular, glasses with low dielectric properties are a prerequisite for high-frequency applications. In this study, the GHz dielectric properties of alkali-free aluminoborosilicate glasses without and with La2O3 were analyzed using the Clausius-Mossotti equation where both the electronic and ionic polarizabilities contribute to the dielectric constant. The dielectric polarizability (αD) and oxide ion polarizability (αO2-) were calculated from the measured dielectric constant (εGHz) at 1 GHz and the glass density. The dielectric constants (εopt) at the optical frequencies and electronic polarizabilities (αe) of the glasses were calculated from the refractive index measured at 633 nm and the glass density. The εGHz values were found to be significantly higher than the εopt values in both series of glasses, due to the ionic polarizability (αi), which contributes additionally to the εGHz. The lower dielectric constants of the La2O3-incoporated glasses than that of the reference glass without La2O3 may be due to the lower ionic polarizability originated from the incorporation of the high cation field strength of the La3+ ions.

Use of caps in the auxiliary basis set formulation of the fragment molecular orbital method.

An auxiliary polarization formulation of the fragment molecular orbital (FMO) method is developed, combining a basis set correction computed for capped isolated fragments with a polarization obtained from uncapped fragments. For a set of organic and inorganic test systems, it is shown that the total energy and atomic charges are accurately reproduced with respect to full unfragmented calculations. It is demonstrated that the method is accurate for computing electronic excited states. The developed approach is applied to rank the isomers of chignolin from experimental NMR data (PDB: 1UAO) according to their relative energy. Contributions of polarization and basis set effects to pair interactions between fragments are elucidated.

Machine Learning for Polaritonic Chemistry: Accessing Chemical Kinetics.

Altering chemical reactivity and material structure in confined optical environments is on the rise, and yet, a conclusive understanding of the microscopic mechanisms remains elusive. This originates mostly from the fact that accurately predicting vibrational and reactive dynamics for soluted ensembles of realistic molecules is no small endeavor, and adding (collective) strong light-matter interaction does not simplify matters. Here, we establish a framework based on a combination of machine learning (ML) models, trained using density-functional theory calculations and molecular dynamics to accelerate such simulations. We then apply this approach to evaluate strong coupling, changes in reaction rate constant, and their influence on enthalpy and entropy for the deprotection reaction of 1-phenyl-2-trimethylsilylacetylene, which has been studied previously both experimentally and using ab initio simulations. While we find qualitative agreement with critical experimental observations, especially with regard to the changes in kinetics, we also find differences in comparison with previous theoretical predictions. The features for which the ML-accelerated and ab initio simulations agree show the experimentally estimated kinetic behavior. Conflicting features indicate that a contribution of dynamic electronic polarization to the reaction process is more relevant than currently believed. Our work demonstrates the practical use of ML for polaritonic chemistry, discusses limitations of common approximations, and paves the way for a more holistic description of polaritonic chemistry.

Data-driven estimates for light-quark-connected and strange-plus-disconnected hadronic g−2 window quantities

A number of discrepancies have emerged between lattice computations and data-driven dispersive evaluations of the RBC/UKQCD intermediate-window-hadronic contribution to the muon anomalous magnetic moment. It is therefore interesting to obtain data-driven estimates for the light-quark-connected and strange-plus-disconnected components of this window quantity, allowing for a more detailed comparison between the lattice and data-driven approaches. The aim of this paper is to provide these estimates, extending the analysis to several other window quantities, including two windows designed to focus on the region in which the two-pion contribution is dominant. Clear discrepancies are observed for all light-quark-connected contributions considered, while good agreement with lattice results is found for strange-plus-disconnected contributions to the quantities for which corresponding lattice results exist. The largest of these discrepancies is that for the RBC/UKQCD intermediate window, where, as previously reported, our data-driven result, aμW1,lqc=198.9(1.1)×10−10, is in significant tension with the results of 8 different recent lattice determinations. Our strategy is the same as recently employed in obtaining data-driven estimates for the light-quark-connected and strange-plus-disconnected components of the full leading-order hadronic vacuum polarization contribution to the muon anomalous magnetic moment. Updated versions of those earlier results are also presented, for completeness. Published by the American Physical Society 2024

Trilayer structured ceramic/polymer nanocomposites with superior breakdown strength and discharged energy density

The excellent dielectric constant (εr) and breakdown strength (Eb) of dielectric nanocomposites are the necessary conditions for their excellent energy storage properties (ESPs) in microelectronics and power systems. In recent years, inorganic nanofillers and multilayer structure design have provided an efficient way to improve the ESPs of dielectric composites. Herein, we selected 0.8Bi0.5(Na0.82K0.18)0.5TiO3-0.2Sr(Sc0.5Nb0.5)O3 cecamic nanoparticles (BNKT-SSN NPs) with high εr and low loss as nanofillers, and prepare novel trilayer structured BNKT-SSN/P(VDF-HFP) nanocomposites to improve the εr and Eb. The investigated phenomena demonstrate that due to the contribution of BNKT-SSN NPs incorporation and interfacial polarization between neighboring layers, the εr and Eb of the trilayer structured BNKT-SSN/P(VDF-HFP) nanocomposites are enhanced while the dielectric loss (tanδ) and leakage current density are suppressed. It is worth noting that the Eb is measured up to 650 MV m−1 when the intermediate layer fillers BNKT-SSN NPs of the trilayer structured nanocomposite is 0.75 vol%, and the discharged energy density (Ud) and energy efficiency (η) are 25.79 J cm−3 and 70.07 %, respectively. In this work, it's demonstrates that the incorporation of inorganic ceramic fillers and the trilayer structured design provide a feasible approach of improving the ESPs of dielectric nanocomposites.

Comprehensive quantum calculation of the first dielectric virial coefficient of water.

We present a complete calculation, fully accounting for quantum effects and for molecular flexibility, of the first dielectric virial coefficient of water and its isotopologues. The contribution of the electronic polarizability is computed from a state-of-the-art intramolecular potential and polarizability surface from the literature, and its small temperature dependence is quantified. The dipolar polarizability is calculated in a similar manner with an accurate literature dipole-moment surface; it differs from the classical result both due to the different molecular geometries sampled at different temperatures and due to the quantization of rotation. We calculate the dipolar contribution independently from spectroscopic information in the HITRAN2020 database and find that the two methods yield consistent results. The resulting first dielectric virial coefficient provides a complete description of the dielectric constant at low density that can be used in humidity metrology and as a boundary condition for new formulations for the static dielectric constant of water and heavy water.