2013
DOI: 10.1103/physreva.88.010501
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Centrifugal correction to hyperfine structure constants in the ground state of lead monofluoride

Abstract: The sensitivity of the PbF molecule to the electron electric dipole moment has motivated detailed microwave spectroscopy. Previous theoretical approaches cannot fully explain the spectra. In turn, the explanation from "first principles" is very important both for molecular theory and for confirmation of the correctness of the interpretation of experimental data obtained with high precision.All of these issues are decisively addressed here. We have determined centrifugal correction parameters for hyperfine stru… Show more

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Cited by 41 publications
(46 citation statements)
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References 20 publications
(39 reference statements)
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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%
“…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%
“…[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%
“…Second, a nonvariational restoration procedure is employed [25] to recover the valence wave function in the inner core region of a heavy atom. The two-step approach has been used in various calculations of AiC properties [11,26,[41][42][43][44][45][46] and has proven to be a reliable source of theoretical data for experimental investigations [47]. The GRECP from Ref.…”
Section: Electronic Structure Calculationsmentioning
confidence: 99%