<i>Ab initio</i>calculation of the enhancement of the electric dipole moment of an electron in the YbF molecule

Parpia, F. A.

doi:10.1088/0953-4075/31/7/008

Cited by 69 publications

(53 citation statements)

References 42 publications

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“…First, at our operating field the interaction energy [9,10,11,12,13,14,15] of YbF due to d e is 220 times larger than that obtained using Tl in a large field [7]. Second, the motional magnetic field, a source of systematic error which plagued the Tl experiment, has negligible effect on YbF [8].…”

mentioning

confidence: 72%

“…The effective electric field, E eff , which depends non-linearly on the applied electric field accounts for the complexity of the molecular environment. Under our operating conditions the effective field has magnitude 14.5 GV/cm and is aligned antiparallel to the applied field [10,11,12,13,14,15]. Thus, the energy shift of the (F = 1, m F ) state of the molecule due to the electron EDM is −d e E eff m F where E eff = −14.5 GV/cm.…”

Section: Methodsmentioning

confidence: 96%

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Improved measurement of the shape of the electron

Hudson

Kara

Smallman

et al. 2011

Nature

727

802

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The electron is predicted to be slightly aspheric [1], with a distorsion characterised by the electric dipole moment (EDM), d e . No experiment has ever detected this deviation. The standard model of particle physics predicts that d e is far too small to detect [2], being some eleven orders of magnitude smaller than the current experimental sensitivity. However, many extensions to the standard model naturally predict much larger values of d e that should be detectable [3]. This makes the search for the electron EDM a powerful way to search for new physics and constrain the possible extensions. In particular, the popular idea that new supersymmetric particles may exist at masses of a few hundred GeV is difficult to reconcile with the absence of an electron EDM at the present limit of sensitivity [4,2]. The size of the EDM is also intimately related to one 1

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confidence: 72%

Section: Methodsmentioning

confidence: 96%

Improved measurement of the shape of the electron

Hudson

Kara

Smallman

et al. 2011

Nature

727

802

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“…There is a number of systems on which experiments to search for T,P-odd effects have already been conducted or suggested and which are investigated theoretically and experimentally (HfF + [12][13][14][15][16][17][18], YbF [2,[19][20][21][22][23][24][25], ThO [3,[26][27][28][29][30][31], ThF + [13,32], WC [33,34], PbF [35][36][37][38], RaO [39,40], RaF [41,42], PtH + [16,43], etc.). Recently, TaN molecule was suggested as a new system to search for the T,P-odd MQM of the tantalum nucleus [44], where the molecule was marked as quite promising candidate to search for T,P violation in nuclear sector using molecules.…”

Section: Introductionmentioning

confidence: 99%

TaN molecule as a candidate for the search for aT,P-violating nuclear magnetic quadrupole moment

et al. 2015

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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.

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“…In the framework of the four-component Dirac relativistic method, Parpia [15] calculated E eff = 19.9 GV/cm from the unpaired spinor, and 24.9 GV/cm from all the occupied spinors at the unrestricted DF level in 1998. In the same year, Quiney et al [16] calculated E eff = 24.8 GV/cm at the restricted DF level with the first-order core polarization included by MBPT.…”

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confidence: 99%

Application of relativistic coupled-cluster theory to the effective electric field in YbF

et al. 2014

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An accurate determination of the effective electric field (E eff ) in YbF is important, as it can be combined with the results of future experiments to give an improved new limit for the electric dipole moment of the electron. We report a relativistic coupled-cluster calculation of this quantity in which all the core electrons were excited. It surpasses the approximations made in the previous reported calculations. We obtain a value of 23.1 GV/cm for E eff in YbF with an estimated error of less than 10%. The crucial roles of the basis sets and the core excitations in our work are discussed.The electric dipole moment (EDM) of a nondegenerate system arises from violations of both the parity (P) and the time-reversal (T) symmetries [1]. T violation implies charge parity (CP) violation via CPT theorem [2]. In general, CP violation is a necessary condition for the existence of the EDMs of physical systems, and, in particular, atoms and molecules. Paramagnetic atoms and molecules are sensitive to the EDM of the electron (eEDM) [3], which is an important probe of the physics beyond the standard model [4]. The eEDM arising from CP violation could also be related to the matter-antimatter asymmetry in the universe [5]. A number of studies using atoms have been performed during the past few decades to extract an upper limit for the eEDM [6]. In general, for heavy polar molecules, the effective electric field experienced by an electron (E eff ) obtained from relativistic molecular calculations can be several orders of magnitude larger than that in atoms [7]. Therefore, the experimental observable (i.e., the shift in energy because of the interaction of the electric field with the eEDM) is also several orders of magnitude larger. Owing to the high sensitivity of the eEDM in molecules, there has been a considerable increase in interest in this field during the past decade The aim of the present work is to calculate E eff in YbF using a rigorous relativistic many-body method, which is more accurate than the methods used in the previous calculations. The method we have chosen is the four-component relativistic coupled-cluster (RCC) method, which is arguably the current gold standard for calculating the electronic structure of heavy atoms and diatomic molecules [18].The electron EDM interaction Hamiltonian in a molecule can be written as [19] Here, d e is the eEDM of an electron,  is one of the Dirac matrices, and  are the Pauli spin matrices. i is the index of summation labelling for electrons and N e is the total number of electrons. E int is the electric field acting on an electron in a molecule. The quantity that is of experimental interest in the search for the eEDM is an energy shift (E) of a particular state owing to the interaction Hamiltonian given in Eq.(1). This can be expressed as

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Ab initiocalculation of the enhancement of the electric dipole moment of an electron in the YbF molecule

Cited by 69 publications

References 42 publications

Improved measurement of the shape of the electron

Improved measurement of the shape of the electron

TaN molecule as a candidate for the search for aT,P-violating nuclear magnetic quadrupole moment

Application of relativistic coupled-cluster theory to the effective electric field in YbF

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