Zeeman interaction in ThO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>H</mml:mi><mml:msup><mml:mspace width="0.16em" /><mml:mn>3</mml:mn></mml:msup><mml:msub><mml:mi>Δ</mml:mi><mml:mn>1</mml:mn></mml:msub></mml:mrow></mml:math>for the electron electric-dipole-moment search

Petrov, A. N.; Skripnikov, L. V.; Титов, А. В.; Hutzler, Nicholas R.; Hess, Paul; O'Leary, Brendon; Spaun, Ben; DeMille, David; Gabrielse, Gerald; Doyle, John M.

doi:10.1103/physreva.89.062505

Cited by 62 publications

(82 citation statements)

References 31 publications

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“…[39]. GRECP and the restoration procedure were also successfully used for precise investigation of different diatomics [7,29,[40][41][42][43][44][45][46][47][48][49]. The two-step method allows one to consider high-order correlation effects and large basis sets with rather modest requirements to computer resources in comparison to 4-component approaches.…”

Section: Electronic Structure Calculation Detailsmentioning

confidence: 99%

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

2017

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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 WM =0.494 1033 Hz e 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.

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Section: Electronic Structure Calculation Detailsmentioning

confidence: 99%

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

2017

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“…[9]. The aim of the present work is to consider geometric phase shifts.Following the computational scheme of [9,11], the energies of the rotational levels in the H 3 ∆ 1 electronic state of the 232 Th 16 O molecule in external static electric E = Eẑ and magnetic B = Bẑ fields are obtained by numerical diagonalization of the molecular Hamiltonian (Ĥ mol ) over the basis set of the electronic-rotational wavefunc-is the rotational wavefunction, α, β, γ are Euler angles, and M (Ω) is the projection of the molecule angular momentum J on the labẑ (internuclearn) axis. Detailed feature of the Hamiltonian is described in [9].…”

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confidence: 99%

“…The current limit for eEDM, |d e | < 9 × 10 −29 e·cm (90% confidence), was set with a buffer-gas cooled molecular beam [5][6][7] of thorium monoxide (ThO) molecules in the metastable electronic H 3 ∆ 1 state. It was shown that due to existence of closely-spaced levels of opposite parity of Ω-doublet the experiment on ThO is very robust against a number of systematic effects related to magnetic fields [8,9] or geometric phases [10]. However, the upper and lower Ω-doublet states have slightly different properties and systematic effects related to magnetic field imperfections and geometric phases can still manifest themselves as a false eEDM.…”

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ac Stark effect in ThOH3Δ1for the electron electric-dipole-moment search

Petrov

2015

Phys. Rev. A

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A method and code for calculations of diatomic molecules in the external variable electromagnetic field have been developed. Code applied for calculation of systematics in the electron's electric dipole moment search experiment on ThO H 3 ∆1 state related to geometric phases, including dependence on Ω-doublet, rotational level, and external static electric field. It is found that systematics decrease cubically with respect to the frequency of the rotating transverse component of the electric field. Calculation confirms that experiment on ThO H 3 ∆1 state is very robust against systematic errors related to geometric phases.The experimental measurement of a non-zero electron electric dipole moment (eEDM, d e ) would be a clear signature of physics beyond the Standard model [1-4]. The current limit for eEDM, |d e | < 9 × 10 −29 e·cm (90% confidence), was set with a buffer-gas cooled molecular beam [5][6][7] of thorium monoxide (ThO) molecules in the metastable electronic H 3 ∆ 1 state. It was shown that due to existence of closely-spaced levels of opposite parity of Ω-doublet the experiment on ThO is very robust against a number of systematic effects related to magnetic fields [8,9] or geometric phases [10]. However, the upper and lower Ω-doublet states have slightly different properties and systematic effects related to magnetic field imperfections and geometric phases can still manifest themselves as a false eEDM. The dependence of gfactors of the ThO H 3 ∆ 1 state on Ω-doublets and external electric field was considered in Ref. [9]. The aim of the present work is to consider geometric phase shifts.Following the computational scheme of [9,11], the energies of the rotational levels in the H 3 ∆ 1 electronic state of the 232 Th 16 O molecule in external static electric E = Eẑ and magnetic B = Bẑ fields are obtained by numerical diagonalization of the molecular Hamiltonian (Ĥ mol ) over the basis set of the electronic-rotational wavefunc-is the rotational wavefunction, α, β, γ are Euler angles, and M (Ω) is the projection of the molecule angular momentum J on the labẑ (internuclearn) axis. Detailed feature of the Hamiltonian is described in [9]. In the paper the M = ±1 states which represent interest for eEDM search experiment are considered. For electric field E = 20 − 200 V/cm, used in the experiment, lower rotational levels with M = 0 can be labeled by |J, M, Ω > quantum numbers. States |J, M =1, Ω=1 >, |J, M = − 1, Ω= − 1 > correspond to the upper and |J, M = − 1, Ω=1 >, |J, M =1, Ω= − 1 > to the lower Ω-doublet levels. External magnetic field removes the degeneracy between Ω-doublet components: , here E eff = 81.5GV/cm [12,14] is the effective internal electric field. However, there are systematic effects which can give additional energy shifts δ∆E l and δ∆E u for ∆E l and ∆E u which manifest as a false eEDM. This leads to a systematic error δd e (sys) =. It is also useful to consider systematic effectsδd e (sys) =4E eff related to one of the Ω-doublet component . One of the effect is the interaction with trans...

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“…The use of the H 3 1 state allows for spectroscopic reversal of E eff in the laboratory frame due to its -doublet structure [18]. Its small magnetic moment [19] greatly suppresses systematic errors related to magnetic fields and geometric phases [20]. ACME I was limited by the 1-sigma statistical uncertainty in the EDM value of δd e ≈ 1.5 × 10 −28 e cm √ d/ √ T , where T is the running time in days (24 h with realistic duty cycle) [1].…”

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confidence: 99%