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L. V. Skripnikov

Publications and source records attributed to L. V. Skripnikov.

At least 37 records · Page 2Linked to original sources
arXiv2019

$\mathcal{P}$,$\mathcal{T}$-odd Faraday rotation on atoms and molecules in intra-cavity absorption spectroscopy as an alternative way to search for the $\mathcal{P}$,$\mathcal{T}$-odd effects in nature

Present limit on the electron electric dipole moment ($e$EDM) is based on the electron spin precession measurement. We propose an alternative approach - observation of the $\mathcal{P}$,$\mathcal{T}$-odd Faraday effect in an external electric field on atoms and molecules using cavity-enhanced polarimetric scheme in combination with molecular (atomic) beam crossing the cavity. Our calculations of the effective electric fields and theoretical simulation of the proposed experiment on Tl and Pb atoms, PbF, YbF, ThO, and YbOH show that the present limit on the $e$EDM can be improved by 6-7 orders of magnitude.

physics.atom-ph↗
arXiv2019

Accurate Evaluation of $\mathcal{P}$,$\mathcal{T}$-odd Faraday Effect in Atoms of Xe and Hg

Accurate evaluation of the $\mathcal{P}$,$\mathcal{T}$-odd Faraday effect (rotation of the polarization plane for the light propagating through a medium in presence of an external electric field) is presented. This effect can arise only due to the $\mathcal{P}$,$\mathcal{T}$-odd interactions and is different from the ordinary Faraday effect, i.e. the light polarization plane rotation in an external magnetic field. The rotation angle is evaluated for the ICAS (intracavity absorption spectroscopy) type experiments with Xe and Hg atoms. The results show that Hg atom may become a good candidate for a search for the $\mathcal{P}$,$\mathcal{T}$-odd effects in atomic physics.

physics.atom-ph↗
arXiv2019

Many body study of the Bohr-Weisskopf effect in the thallium atom

We report the relativistic coupled cluster study of the hyperfine structure and effect of the nuclear magnetization distribution (Bohr-Weisskopf effect) in the $6P_{1/2}$, $6P_{3/2}$ and $7S_{1/2}$ states of several Tl isotopes. It is shown that the Gaussian basis set can be used in such electronic structure calculations and provide a good accuracy. For the ground electronic state of the neutral Tl atom achieved uncertainty for the hyperfine structure constant is smaller than 1\%. A strong Bohr-Weisskopf correction (about 16\%) was found for the $6P_{3/2}$ state which can be of interest for the nuclear structure theory. Basing on the theoretical treatment as well as the available experimental data nuclear magnetic moments of short lived ${}^{191}$Tl and ${}^{193}$Tl isotopes were also predicted.

physics.atom-ph↗
arXiv2018

Interference between $E1$ and $M1$ transition amplitudes on the $H$ to $C$ transition in ThO

Calculations of Stark interference between $E1$ and $M1$ transition amplitudes on the $H^3Δ_1$ to $C^1Π$ transition in ThO is performed. Calculations are required for estimations of systematic errors in the experiment for electron electric dipole (eEDM) moment search due to imperfections in laser beams used to prepare the molecule and read out the (eEDM) signal.

physics.atom-ph↗
arXiv2018

HfF$^+$ as a candidate to search for the nuclear weak quadruple moment

Nuclei with a quadrupole deformation such as $^{177}$Hf have enhanced weak quadrupole moment which induces the tensor weak electron-nucleus interaction in atoms and molecules. Corresponding parity non-conserving (PNC) effect is strongly enhanced in the $^3Δ_1$ electronic state of the $^{177}$HfF$^+$ cation which has very close opposite parity levels mixed by this tensor interaction. In the present paper we perform relativistic many-body calculations of this PNC effect. It is shown that the tensor weak interaction induced by the weak quadrupole moment gives the dominating contribution to the PNC effects in $^{177}$HfF$^+$ which significantly exceeds contributions of the vector anapole moment and the scalar weak charge. The anapole and the weak charge can contribute due to the nonadiabatic mechanism proposed here. Therefore, corresponding experiment will allow one to separate the tensor weak PNC effect from the other PNC effects and to measure the quadrupole moment of the neutron distribution which gives the dominating contribution to the weak quadrupole moment.

physics.atom-ph↗
arXiv2018

Evaluation of CP-violation in HfF$^+$

CP violation effects produced by the nuclear magnetic quadrupole moment (MQM), electron electric dipole moment (EDM) and scalar$-$pseudoscalar nucleus$-$electron neutral current (SP) interaction in $^{177}$Hf$^{19}$F$^+$ and $^{179}$Hf$^{19}$F$^+$ are calculated. The role of the hyperfine interaction is investigated. It is shown that the MQM shift can be distinguished from the electron EDM and SP ones due to the implicit dependence of MQM shift on the hyperfine sublevel. The MQM effect is expressed in terms of the proton (EDM), QCD vacuum angle $θ$ and quark chromo-EDMs.

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↗
arXiv2017

Theoretical study of HfF$^+$ cation to search for the T,P-odd interactions

The combined all-electron and two-step approach is applied to calculate the molecular parameters which are required to interpret the ongoing experiment to search for the effects of manifestation of the T,P-odd fundamental interactions in the HfF$^+$ cation by Cornell/Ye group [Science 342, 1220 (2013); J. Mol. Spectrosc. 300, 12 (2014)]. The effective electric field that is required to interpret the experiment in terms of the electron electric dipole moment is found to be 22.5 GV/cm. In Ref. [Phys. Rev. D 89, 056006 (2014)] it was shown that another source of T,P-odd interaction, the scalar-pseudoscalar nucleus-electron interaction with the dimensionless strength constant $k_{T,P}$ can dominate over the direct contribution from the electron EDM within the standard model and some of its extensions. Therefore, for the comprehensive and correct interpretation of the HfF$^+$ experiment one should also know the molecular parameter $W_{T,P}$ the value of which is reported here to be 20.1 kHz.

physics.atom-ph↗
arXiv2017

Zeeman interaction in $^3Δ_1$ state of HfF$^+$ to search for the electron electric-dipole-moment

We report the theoretical investigation of the suppression of magnetic systematic effects in HfF$^+$ cation for the experiment to search for the electron electric dipole moment. The g-factors for $J = 1$, $F=3/2$, $|M_F|=3/2$ hyperfine levels of the $^3Δ_1$ state are calculated as functions of the external electric field. The lowest value for the difference between the g-factors of $Ω$-doublet levels, $Δg = 3 \times 10^{-6}$, is attained at the electric field 7 V/cm. The body-fixed g-factor, $G_{\parallel}$, was obtained both within the electronic structure calculations and with our fit of the experimental data from [H. Loh, K. C. Cossel, M. C. Grau, K.-K. Ni, E. R. Meyer, J. L. Bohn, J. Ye, and E. A. Cornell, Science {\bf 342}, 1220 (2013)]. For the electronic structure calculations we used a combined scheme to perform correlation calculations of HfF$^+$ which includes both the direct 4-component all-electron and generalized relativistic effective core potential approaches. The electron correlation effects were treated using the coupled cluster methods. The calculated value $G_{\parallel}=0.0115$ agrees very well with the $G_{\parallel}=0.0118$ obtained in the our fitting procedure. The calculated value $D_{\parallel}=-1.53$ a.u. of the molecule frame dipole moment (with the origin in the center of mass) is in agreement with the experimental value $D_{\parallel}=-1.54(1)$ a.u. [H. Loh, Ph.D. thesis, Massachusetts Institute of Technology (2006)].

physics.atom-ph↗
arXiv2017

Study of the scalar-pseudoscalar interaction in the francium atom

Fr atom can be successively used to search for the atomic permanent electric dipole moment (EDM) [Hyperfine Interactions 236, 53 (2015); Journal of Physics: Conference Series 691, 012017 (2016)]. It can be induced by the permanent electron EDM predicted by modern extensions of the standard model to be nonzero at the level accessible by the new generation of EDM experiments. We consider another mechanism of the atomic EDM generation in Fr. This is caused by the scalar-pseudoscalar nucleus-electron neutral current interaction with the dimensionless strength constant, $k_{T,P}$. Similar to the electron EDM this interaction violates both spatial parity and time-reversal symmetries and can also induce permanent atomic EDM. It was shown in [Phys. Rev. D 89, 056006 (2014)] that the scalar-pseudoscalar contribution to the atomic EDM can dominate over the direct contribution from the electron EDM within the standard model. We report high-accuracy combined all-electron and two-step relativistic coupled cluster treatment of the effect from the scalar-pseudoscalar interaction in the Fr atom. Up to the quadruple cluster amplitudes within the CCSDT(Q) method were included in correlation treatment. This calculation is required for the interpretation of the experimental data in terms of $k_{T,P}$. The resulted EDM of the Fr atom expressed in terms of $k_{T,P}$ is $d_{\rm Fr}= k_{T,P} \cdot 4.50\cdot10^{-18} e\cdot {\rm cm}$, where $e$ is the charge of the electron. The value of the ionization potential of the $^2S_{1/2}$ ground state of Fr calculated within the same methods is in a very good agreement with the experiment.

physics.atom-ph↗
arXiv2017

Enhanced effect of CP-violating nuclear magnetic quadrupole moment in HfF$^+$ molecule

HfF$^+$ cation is a very promising system to search for the electron electric dipole moment (EDM), and corresponding experiment is carried out by E. Cornell group. Here we theoretically investigate the cation to search for another T,P-odd effect -- the nuclear magnetic quadrpole moment (MQM) interaction with electrons. We report the first accurate ab initio relativistic electronic structure calculations of the molecular parameter $W_M$=0.494 $\frac{10^{33}\mathrm{Hz}}{e~{\rm cm}^2}$ that is required to interpret the experimental data in terms of the MQM of Hf nucleus. For this we have implemented and applied the combined Dirac-Coulomb(-Gaunt) and relativistic effective core potential approaches to treat electron correlation effects from all of the electrons and to take into account high-order correlation effects using the coupled cluster method with single, double, triple and noniterative quadruple cluster amplitudes, CCSDT(Q). We discuss interpretation of the MQM effect in terms of the strength constants of T,P-odd nuclear forces, proton and neutron EDM, QCD parameter $θ$ and quark chromo-EDM.

physics.atom-ph↗
arXiv2016

Combined 4-component and relativistic pseudopotential study of ThO for the electron electric dipole moment search

A precise theoretical study of the electronic structure of heavy atom diatomic molecules is of key importance to interpret the experiments in the search for violation of time-reversal (T) and spatial-parity (P) symmetries of fundamental interactions it terms of the electron electric dipole moment, eEDM, and dimensionless constant, $k_{T,P}$, characterizing the strength of the T,P-odd pseudoscalar$-$scalar electron$-$nucleus neutral current interaction. ACME collaboration has recently obtained and improved limits on these quantities using a beam of ThO molecules in the $H^3Δ_1$ state [Science 343, 269 (2014)]. We apply the combined direct 4-component and two-step relativistic pseudopotential/restoration approaches to a benchmark calculation of the effective electric field, Eeff, parameter of the T,P-odd pseudoscalar$-$scalar interaction, $W_{T,P}$, and HFS constant in $^3Δ_1$ state of the ThO molecule. The first two parameters are required to interpret the experimental data in terms of the eEDM and $k_{T,P}$ constant. We have investigated the electron correlation for all of the 98 electrons of ThO simultaneously up to the level of the coupled cluster with single, double and noniterative triple amplitudes theory. Contributions from iterative triple and noniterative quadruple cluster amplitudes for the valence electrons have been also treated. The obtained values are Eeff=79.9 GV/cm, $W_{T,P}$=113.1 kHz. The theoretical uncertainty of these values we estimate as about two times smaller than that of our previous study [JCP, 142, 024301 (2015)]. It was found that the correlation of the inner- and outer- core electrons contributes 9% to the effective electric field. The values of the molecule frame dipole moment of the $^3Δ_1$ state and the $H^3Δ_1\to X^1Σ^+$ transition energy of ThO calculated within the same methods are in a very good agreement with the experiment.

physics.atom-ph↗
arXiv2015

TaN molecule as a candidate to search for New physics

It is demonstrated that the TaN molecule is the best candidate to search for T,P-violating nuclear magnetic quadrupole moment (MQM), it also looks promising to search for other T,P-odd effects. We report results of coupled-cluster calculations of T,P-odd effects in TaN produced by the Ta nucleus MQM, electron electric dipole moment (EDM), scalar$-$pseudoscalar nucleus$-$electron interactions, also of the molecule-axis hyperfine structure constant and dipole moment. Nuclear calculations of $^{181}$Ta MQM are performed to express the T,P-odd effect in terms of the strength constants of T,P-odd nuclear forces, proton and neutron EDM, QCD parameter $θ$ and quark chromo-EDM.

physics.atom-ph↗
arXiv2015

Verification of g-factors for lead monofluoride ground state, PbF

We report the results of our theoretical study and analysis of earlier experimental data for the g-factor tensor components of the ground $^2Π_{1/2}$ state of free PbF radical. The values obtained both within the relativistic coupled-cluster method combined with the generalized relativistic effective core potential approach and with our fit of the experimental data from [R.J. Mawhorter, B.S. Murphy, A.L. Baum, T.J. Sears, T. Yang, P.M. Rupasinghe, C.P. McRaven, N.E. Shafer-Ray, L.D. Alphei, J.-U. Grabow, Phys. Rev. A 84, 022508 (2011); A. Baum, B.S. thesis, Pomona College, 2011]. The obtained results agree very well with each other but contradict the previous fit performed in the cited works. Our final prediction for g-factors is $G_{\parallel}= 0.081(5)$, $G_{\perp}=-0.27(1)$.

physics.atom-ph↗
arXiv2015

Theoretical study of ThF$^+$ in the search for T,P-violation effects: Effective state of a Th atom in ThF$^+$ and ThO compounds

We report the results of theoretical investigation of electronic structure of ThF$^+$ cation which is one of the most interesting systems to search for the electron electric dipole moment (eEDM) [H. Loh, K.C. Cossel, M.C. Grau, K.-K. Ni, E.R. Meyer, J.L. Bohn, J. Ye, E.A. Cornell, Science {\bf 342}, 1220 (2013)] and other effects of violation of time reversal (T) and spacial parity (P) symmetries in fundamental interactions. For the working $^3Δ_1$ state we have found a quite high value of the effective electric field acting on unpaired electrons (37.3 GV/cm). The field will be required to interpret the experiment planed on ThF$^+$ in terms of eEDM. Within the concept of atoms in compounds [A.V. Titov, Y.V. Lomachuk, and L.V. Skripnikov, Phys. Rev. A {\bf 90}, 052522 (2014)] we have compared the ThF$^+$ electronic structure with that of ThO. Also we have calculated other parameters of T,P-odd interactions: $W_{T,P}$, which is needed for interpretation of the experiment in terms of the dimensionless constant $k_{T,P}$ characterizing the strength of the T,P-odd pseudoscalar$-$scalar electron$-$nucleus neutral current interaction (50 kHz); $W_M$, which is required to search for the Th nuclear magnetic quadrupole moment in $^{229}$ThF$^+$ (0.88 $\frac{10^{33}\mathrm{Hz}}{e {\rm cm}^2}$). A number of properties which can be measured are also calculated: hyperfine structure constant, the molecule-frame dipole moment, and g-factor.

physics.atom-ph↗
arXiv2014

Towards the search of T,P-odd interactions in lead monofluoride, PbF

The relativistic coupled-clusters method combined with the generalized relativistic effective core potential approach and nonvariational one-center restoration technique is applied to evaluation of parameters of spin-rotational effective Hamiltonian in lead monofluoride to study the effects of violation of time-reversal invariance (T) and space parity (P) in PbF. The obtained hyperfine structure constants, A$_{||}$=9942 MHz and A$_{\perp}$=-7174 MHz are stable with respect to the improvement of the correlation treatment and they are in a very good agreement with the experimental data, A$_{||}$=10147 MHz and A$_{\perp}$=-7264 MHz [PRA {\bf 84}, 022508 (2011)]. This is essential to the important task of verifying the value of effective electric field \Eeff =40 GV/cm, the parameter of P-odd interaction $W_{P}$=-1213 Hz and the parameter of T,P-odd pseudoscalar$-$scalar electron$-$nucleus interaction $W_{T,P}$=91 kHz, which are of primary interest in the paper.

physics.atom-ph↗
arXiv2014

Theoretical study of thorium monoxide for the electron electric dipole moment search, II: Electronic properties of $H^3Δ_1$ in ThO

Recently an improved limits on the electron electric dipole moment, \eEDM, and dimensionless constant, $k_{T,P}$, characterizing the strength of the T,P-odd pseudoscalar$-$scalar electron$-$nucleus neutral current interaction in the $H^3Δ_1$ state of ThO molecule were obtained by ACME collaboration [Science 343, 269 (2014)]. The interpretation of the experiment in terms of fundamental quantities \eEDM\ and $k_{T,P}$ is based on the results of theoretical study of appropriate ThO characteristics, the effective electric field acting on electron, \Eeff, and a parameter of the T,P-odd pseudoscalar$-$scalar interaction, $W_{T,P}$, given in [J.Chem.Phys.\ 139, 221103 (2013)] by St.Petersburg group. To reduce the uncertainties of the given limits we report improved calculations of the molecular state$-$specific quantities \Eeff, 81.5~GV/cm, and $W_{T,P}$, 112~kHz, with the uncertainty within 7\% of the magnitudes. Thus, the values recommended to use for the upper limits of the quantities are 75.8~GV/cm and 104~kHz, correspondingly. The hyperfine structure constant, molecule-frame dipole moment of the $H^3Δ_1$ state and $H^3Δ_1\to X^1Σ^+$ transition energy which, in general, can serve as a measure of reliability of the obtained \Eeff\ and $W_{T,P}$ values are also calculated. Besides we report the first calculation of g-factor for the $H^3Δ_1$ state of ThO. The results are compared to the earlier experimental and theoretical studies, and a detailed analysis of uncertainties of the calculations is given.

physics.atom-ph↗