Further investigation of g factors for the lead monofluoride ground state

Skripnikov, L. V.; Petrov, A. N.; Titov, A. V.; Mawhorter, R. J.; Baum, A. L.; Sears, T. J.; Grabow, J. -U.

doi:10.1103/PhysRevA.92.032508

Title: Further investigation of $g$ factors for the lead monofluoride ground state

Abstract

We report the results of our theoretical study and analysis of earlier experimental data for the g-factor tensor components of the ground ²II_1/2 state of the free PbF radical. These 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, and J.-U. Grabow, Phys. Rev. A 84, 022508 (2011); A. L. Baum, B.A. 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_∥=0.081(5),G_⊥=–0.27(1).

Authors:

Skripnikov, L. V. ^[1]; Petrov, A. N. ^[1]; Titov, A. V. ^[1]; Mawhorter, R. J. ^[2]; Baum, A. L. ^[3]; Sears, T. J. ^[4]; Grabow, J. -U. ^[5]

B.P. Konstantinov Petersburg Nuclear Physics Institute, Gatchina (Russia); St. Petersburg State Univ., St. Petersburg (Russia)
Pomona College, Claremont, CA (United States); Institut fur Physikalische Chemie and Elektrochemie, Hannover (Germany)
Pomona College, Claremont, CA (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States)
Institut fur Physikalische Chemie and Elektrochemie, Hannover (Germany)

Publication Date:: Tue Sep 15 00:00:00 EDT 2015

Research Org.:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1222617

Alternate Identifier(s):: OSTI ID: 1215774

Report Number(s):: BNL-108432-2015-JA
Journal ID: ISSN 1050-2947; PLRAAN; R&D Project: CO006; KC0301020

Grant/Contract Number:: 13-02-01406; SC0012704

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review A - Atomic, Molecular, and Optical Physics

Additional Journal Information:: Journal Volume: 92; Journal Issue: 3; Journal ID: ISSN 1050-2947

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats


                    Skripnikov, L. V., Petrov, A. N., Titov, A. V., Mawhorter, R. J., Baum, A. L., Sears, T. J., and Grabow, J. -U. Further investigation of g factors for the lead monofluoride ground state.  United States: N. p., 2015. 
Web.  doi:10.1103/PhysRevA.92.032508.

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                    Skripnikov, L. V., Petrov, A. N., Titov, A. V., Mawhorter, R. J., Baum, A. L., Sears, T. J., & Grabow, J. -U. Further investigation of g factors for the lead monofluoride ground state.  United States.  https://doi.org/10.1103/PhysRevA.92.032508

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                    Skripnikov, L. V., Petrov, A. N., Titov, A. V., Mawhorter, R. J., Baum, A. L., Sears, T. J., and Grabow, J. -U. Tue .  
"Further investigation of g factors for the lead monofluoride ground state".  United States.  https://doi.org/10.1103/PhysRevA.92.032508.  https://www.osti.gov/servlets/purl/1222617.

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@article{osti_1222617,

  title        = {Further investigation of g factors for the lead monofluoride ground state},

  author       = {Skripnikov, L. V. and Petrov, A. N. and Titov, A. V. and Mawhorter, R. J. and Baum, A. L. and Sears, T. J. and Grabow, J. -U.},

  abstractNote = {We report the results of our theoretical study and analysis of earlier experimental data for the g-factor tensor components of the ground 2II1/2 state of the free PbF radical. These 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, and J.-U. Grabow, Phys. Rev. A 84, 022508 (2011); A. L. Baum, B.A. 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∥=0.081(5),G⊥=–0.27(1).},

  doi          = {10.1103/PhysRevA.92.032508},

  journal      = {Physical Review A - Atomic, Molecular, and Optical Physics},

  number       = 3,

  volume       = 92,

  place        = {United States},

  year         = {Tue Sep 15 00:00:00 EDT 2015},

  month        = {Tue Sep 15 00:00:00 EDT 2015}

}

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Works referenced in this record:

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Works referencing / citing this record:

Combined 4-component and relativistic pseudopotential study of ThO for the electron electric dipole moment search
journal, December 2016

Skripnikov, L. V.
The Journal of Chemical Physics, Vol. 145, Issue 21
DOI: 10.1063/1.4968229

Communication: Theoretical study of HfF ⁺ cation to search for the T,P-odd interactions
journal, July 2017

Skripnikov, L. V.
The Journal of Chemical Physics, Vol. 147, Issue 2
DOI: 10.1063/1.4993622

Electron-nucleus scalar-pseudoscalar interaction in PbF: Z-vector study in the relativistic coupled-cluster framework
text, January 2017

Sasmal, Sudip; Talukdar, Kaushik; Nayak, Malaya K.
arXiv
DOI: 10.48550/arxiv.1706.09221

Search for parity and time reversal violating effects in HgH: Relativistic coupled-cluster study
journal, March 2016

Sasmal, Sudip; Pathak, Himadri; Nayak, Malaya K.
The Journal of Chemical Physics, Vol. 144, Issue 12
DOI: 10.1063/1.4944673

Enhanced effect of CP-violating nuclear magnetic quadrupole moment in HfF$^+$ molecule
text, January 2017

Skripnikov, L. V.; Titov, A. V.; Flambaum, V. V.
arXiv
DOI: 10.48550/arxiv.1701.03328

Scalar-pseudoscalar interaction in the francium atom
journal, February 2017

Skripnikov, L. V.; Maison, D. E.; Mosyagin, N. S.
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LCAO-based theoretical study of PbTiO ₃ crystal to search for parity and time reversal violating interaction in solids
journal, August 2016

Skripnikov, L. V.; Titov, A. V.
The Journal of Chemical Physics, Vol. 145, Issue 5
DOI: 10.1063/1.4959973

Electron–nucleus scalar–pseudoscalar interaction in PbF: Z-vector study in the relativistic coupled-cluster framework
journal, May 2017

Sasmal, Sudip; Talukdar, Kaushik; Nayak, Malaya K.
Molecular Physics, Vol. 115, Issue 21-22
DOI: 10.1080/00268976.2017.1332396

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Title: Further investigation of g factors for the lead monofluoride ground state

Abstract

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Calculation of the P- and T-odd spin-rotational Hamiltonian of the PbF molecule journal, October 1987

Electron electric dipole moment: Relativistic correlation calculations of the P , T -violation effect in the Δ 3 3 state of PtH + journal, December 2009

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Method for evaluating chemical shifts of x-ray emission lines in molecules and solids journal, December 2013

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Possibility of 0- g -factor paramagnetic molecules for measurement of the electron’s electric dipole moment journal, March 2006

Characterization of the ground X 1 state of 204 Pb 19 F, 206 Pb 19 F, 207 Pb 19 F, and 208 Pb 19 F journal, August 2011

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Title: Further investigation of $g$ factors for the lead monofluoride ground state

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journal, October 1987

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journal, December 2009

Progress toward the electron electric-dipole-moment search: Theoretical study of the PbF molecule
journal, December 2010

Precision spectroscopy of the ${}^{207}{Pb}$ ${}^{19}F$ molecule: Implications for measurement of $P$ -odd and $T$ -odd effects
journal, April 2011

Method for evaluating chemical shifts of x-ray emission lines in molecules and solids
journal, December 2013

Experimental determination of the hyperfine constants of the $X_{1}$ and $A$ states of ${}^{207}{Pb} {}^{19}F$
journal, November 2008

A general-order local coupled-cluster method based on the cluster-in-molecule approach
journal, September 2011

Theoretical study of ${ThF}^{+}$ in the search for $T, P$ -violation effects: Effective state of a Th atom in ${ThF}^{+}$ and ThO compounds
journal, April 2015

Electron electric-dipole-moment interaction constant for HfF $^{+}$ from relativistic correlated all-electron theory
journal, September 2013

TaN molecule as a candidate for the search for a T,P -violating nuclear magnetic quadrupole moment
journal, July 2015

Centrifugal correction to hyperfine structure constants in the ground state of lead monofluoride
journal, July 2013

High-Resolution Study of theX22Π3/2→X12Π1/2Fine Structure Transitions of PbF and PbCl
journal, September 1998

Calculation of the spin-rotational Hamiltonian including P- and P, T-odd weak interaction terms for HgF and PbF molecules
journal, July 1992

Generalized Recpaccounting For Breit Effects: Uranium, Plutonium And Superheavy Elements 112, 113, 114
book, January 2006

Enhanced effects of temporal variation of the fundamental constants in $^{2} Π_{1 / 2}$ -term diatomic molecules: $^{207}$ Pb $^{19}$ F
journal, November 2013

Accounting for the Breit interaction in relativistic effective core potential calculations of actinides
journal, November 2004

Addendum to “Possibility of 0- $g$ -factor paramagnetic molecules for measurement of the electron's electric dipole moment”
journal, January 2013

Theoretical study on ThF ⁺ , a prospective system in search of time-reversal violation
journal, April 2015

Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions
journal, May 1992

Hyperfine and Zeeman interactions of the $a (1) [^{3} Σ_{1}^{+}]$ state of PbO
journal, February 2011

Zeeman interaction in ThO $H^{3} Δ_{1}$ for the electron electric-dipole-moment search
journal, June 2014

Enhancement of the electron electric dipole moment in Eu $^{2 +}$
journal, August 2011

Relativistic study of nuclear-anapole-moment effects in diatomic molecules
journal, August 2013

Calculation of excited-state properties using general coupled-cluster and configuration-interaction models
journal, November 2004

Search for parity- and time-and-parity–violation effects in lead monofluoride (PbF): Ab initio molecular study
journal, December 2014

The molecular frame electric dipole moment and hyperfine interactions in hafnium fluoride, HfF
journal, March 2013

Rotational analysis of the B-X ₂ , B-X ₁ and A-X ₁ systems of gaseous PbF
journal, June 1977

Possibility of 0- $g$ -factor paramagnetic molecules for measurement of the electron’s electric dipole moment
journal, March 2006

Characterization of the ground $X_{1}$ state of $^{204}$ Pb $^{19}$ F, $^{206}$ Pb $^{19}$ F, $^{207}$ Pb $^{19}$ F, and $^{208}$ Pb $^{19}$ F
journal, August 2011

Theoretical study of $Hf F^{+}$ in search of the electron electric dipole moment
journal, September 2007

Generalized relativistic effective core potential: Theoretical grounds
journal, January 1999

Combined 4-component and relativistic pseudopotential study of ThO for the electron electric dipole moment search
journal, December 2016

Communication: Theoretical study of HfF ⁺ cation to search for the T,P-odd interactions
journal, July 2017

Electron-nucleus scalar-pseudoscalar interaction in PbF: Z-vector study in the relativistic coupled-cluster framework
text, January 2017

Search for parity and time reversal violating effects in HgH: Relativistic coupled-cluster study
journal, March 2016

Enhanced effect of CP-violating nuclear magnetic quadrupole moment in HfF$^+$ molecule
text, January 2017

Scalar-pseudoscalar interaction in the francium atom
journal, February 2017

LCAO-based theoretical study of PbTiO ₃ crystal to search for parity and time reversal violating interaction in solids
journal, August 2016

Electron–nucleus scalar–pseudoscalar interaction in PbF: Z-vector study in the relativistic coupled-cluster framework
journal, May 2017