Standard

Electron correlation and relativistic effects in the excited states of radium monofluoride. / Athanasakis-kaklamanakis, M.; Wilkins, S. G.; Skripnikov, L. V.; Koszorús, Á.; Breier, A. A.; Ahmad, O.; Au, M.; Bai, S. W.; Belošević, I.; Berbalk, J.; Berger, R.; Bernerd, C.; Bissell, M. L.; Borschevsky, A.; Brinson, A.; Chrysalidis, K.; Cocolios, T. E.; De Groote, R. P.; Dorne, A.; Fajardo-zambrano, C. M.; Field, R. W.; Flanagan, K. T.; Franchoo, S.; Garcia Ruiz, R. F.; Gaul, K.; Geldhof, S.; Giesen, T. F.; Hanstorp, D.; Heinke, R.; Imgram, P.; Isaev, T. A.; Kyuberis, A. A.; Kujanpää, S.; Lalanne, L.; Lassègues, P.; Lim, J.; Liu, Y. C.; Lynch, K. M.; Mcglone, A.; Mei, W. C.; Neyens, G.; Nichols, M.; Nies, L.; Pašteka, L. F.; Perrett, H. A.; Raggio, A.; Reilly, J. R.; Rothe, S.; Smets, E.; Udrescu, S.-m.; Van Den Borne, B.; Wang, Q.; Warbinek, J.; Wessolek, J.; Yang, X. F.; Zülch, C.

в: Nature Communications, Том 16, № 1, 2139 , 03.03.2025.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

Harvard

Athanasakis-kaklamanakis, M, Wilkins, SG, Skripnikov, LV, Koszorús, Á, Breier, AA, Ahmad, O, Au, M, Bai, SW, Belošević, I, Berbalk, J, Berger, R, Bernerd, C, Bissell, ML, Borschevsky, A, Brinson, A, Chrysalidis, K, Cocolios, TE, De Groote, RP, Dorne, A, Fajardo-zambrano, CM, Field, RW, Flanagan, KT, Franchoo, S, Garcia Ruiz, RF, Gaul, K, Geldhof, S, Giesen, TF, Hanstorp, D, Heinke, R, Imgram, P, Isaev, TA, Kyuberis, AA, Kujanpää, S, Lalanne, L, Lassègues, P, Lim, J, Liu, YC, Lynch, KM, Mcglone, A, Mei, WC, Neyens, G, Nichols, M, Nies, L, Pašteka, LF, Perrett, HA, Raggio, A, Reilly, JR, Rothe, S, Smets, E, Udrescu, S, Van Den Borne, B, Wang, Q, Warbinek, J, Wessolek, J, Yang, XF & Zülch, C 2025, 'Electron correlation and relativistic effects in the excited states of radium monofluoride', Nature Communications, Том. 16, № 1, 2139 . https://doi.org/10.1038/s41467-025-55977-w

APA

Athanasakis-kaklamanakis, M., Wilkins, S. G., Skripnikov, L. V., Koszorús, Á., Breier, A. A., Ahmad, O., Au, M., Bai, S. W., Belošević, I., Berbalk, J., Berger, R., Bernerd, C., Bissell, M. L., Borschevsky, A., Brinson, A., Chrysalidis, K., Cocolios, T. E., De Groote, R. P., Dorne, A., ... Zülch, C. (2025). Electron correlation and relativistic effects in the excited states of radium monofluoride. Nature Communications, 16(1), [2139 ]. https://doi.org/10.1038/s41467-025-55977-w

Vancouver

Athanasakis-kaklamanakis M, Wilkins SG, Skripnikov LV, Koszorús Á, Breier AA, Ahmad O и пр. Electron correlation and relativistic effects in the excited states of radium monofluoride. Nature Communications. 2025 Март 3;16(1). 2139 . https://doi.org/10.1038/s41467-025-55977-w

Author

Athanasakis-kaklamanakis, M. ; Wilkins, S. G. ; Skripnikov, L. V. ; Koszorús, Á. ; Breier, A. A. ; Ahmad, O. ; Au, M. ; Bai, S. W. ; Belošević, I. ; Berbalk, J. ; Berger, R. ; Bernerd, C. ; Bissell, M. L. ; Borschevsky, A. ; Brinson, A. ; Chrysalidis, K. ; Cocolios, T. E. ; De Groote, R. P. ; Dorne, A. ; Fajardo-zambrano, C. M. ; Field, R. W. ; Flanagan, K. T. ; Franchoo, S. ; Garcia Ruiz, R. F. ; Gaul, K. ; Geldhof, S. ; Giesen, T. F. ; Hanstorp, D. ; Heinke, R. ; Imgram, P. ; Isaev, T. A. ; Kyuberis, A. A. ; Kujanpää, S. ; Lalanne, L. ; Lassègues, P. ; Lim, J. ; Liu, Y. C. ; Lynch, K. M. ; Mcglone, A. ; Mei, W. C. ; Neyens, G. ; Nichols, M. ; Nies, L. ; Pašteka, L. F. ; Perrett, H. A. ; Raggio, A. ; Reilly, J. R. ; Rothe, S. ; Smets, E. ; Udrescu, S.-m. ; Van Den Borne, B. ; Wang, Q. ; Warbinek, J. ; Wessolek, J. ; Yang, X. F. ; Zülch, C. / Electron correlation and relativistic effects in the excited states of radium monofluoride. в: Nature Communications. 2025 ; Том 16, № 1.

BibTeX

@article{7bdc18eb9b1e404ab9274f22cacaa871,
title = "Electron correlation and relativistic effects in the excited states of radium monofluoride",
abstract = "Highly accurate and precise electronic structure calculations of heavy radioactive atoms and their molecules are important for several research areas, including chemical, nuclear, and particle physics. Ab initio quantum chemistry can elucidate structural details in these systems that emerge from the interplay of relativistic and electron correlation effects, but the large number of electrons complicates the calculations, and the scarcity of experiments prevents insightful theory-experiment comparisons. Here we report the spectroscopy of the 14 lowest excited electronic states in the radioactive molecule radium monofluoride (RaF), which is proposed as a sensitive probe for searches of new physics. The observed excitation energies are compared with state-of-the-art relativistic Fock-space coupled cluster calculations, which achieve an agreement of ≥99.64% (within ~12 meV) with experiment for all states. Guided by theory, a firm assignment of the angular momentum and term symbol is made for 10 states and a tentative assignment for 4 states. The role of high-order electron correlation and quantum electrodynamics effects in the excitation energies is studied and found to be important for all states.",
author = "M. Athanasakis-kaklamanakis and Wilkins, {S. G.} and Skripnikov, {L. V.} and {\'A}. Koszor{\'u}s and Breier, {A. A.} and O. Ahmad and M. Au and Bai, {S. W.} and I. Belo{\v s}evi{\'c} and J. Berbalk and R. Berger and C. Bernerd and Bissell, {M. L.} and A. Borschevsky and A. Brinson and K. Chrysalidis and Cocolios, {T. E.} and {De Groote}, {R. P.} and A. Dorne and Fajardo-zambrano, {C. M.} and Field, {R. W.} and Flanagan, {K. T.} and S. Franchoo and {Garcia Ruiz}, {R. F.} and K. Gaul and S. Geldhof and Giesen, {T. F.} and D. Hanstorp and R. Heinke and P. Imgram and Isaev, {T. A.} and Kyuberis, {A. A.} and S. Kujanp{\"a}{\"a} and L. Lalanne and P. Lass{\`e}gues and J. Lim and Liu, {Y. C.} and Lynch, {K. M.} and A. Mcglone and Mei, {W. C.} and G. Neyens and M. Nichols and L. Nies and Pa{\v s}teka, {L. F.} and Perrett, {H. A.} and A. Raggio and Reilly, {J. R.} and S. Rothe and E. Smets and S.-m. Udrescu and {Van Den Borne}, B. and Q. Wang and J. Warbinek and J. Wessolek and Yang, {X. F.} and C. Z{\"u}lch",
year = "2025",
month = mar,
day = "3",
doi = "10.1038/s41467-025-55977-w",
language = "English",
volume = "16",
journal = "Nature Communications",
issn = "2041-1723",
publisher = "Nature Publishing Group",
number = "1",

}

RIS

TY - JOUR

T1 - Electron correlation and relativistic effects in the excited states of radium monofluoride

AU - Athanasakis-kaklamanakis, M.

AU - Wilkins, S. G.

AU - Skripnikov, L. V.

AU - Koszorús, Á.

AU - Breier, A. A.

AU - Ahmad, O.

AU - Au, M.

AU - Bai, S. W.

AU - Belošević, I.

AU - Berbalk, J.

AU - Berger, R.

AU - Bernerd, C.

AU - Bissell, M. L.

AU - Borschevsky, A.

AU - Brinson, A.

AU - Chrysalidis, K.

AU - Cocolios, T. E.

AU - De Groote, R. P.

AU - Dorne, A.

AU - Fajardo-zambrano, C. M.

AU - Field, R. W.

AU - Flanagan, K. T.

AU - Franchoo, S.

AU - Garcia Ruiz, R. F.

AU - Gaul, K.

AU - Geldhof, S.

AU - Giesen, T. F.

AU - Hanstorp, D.

AU - Heinke, R.

AU - Imgram, P.

AU - Isaev, T. A.

AU - Kyuberis, A. A.

AU - Kujanpää, S.

AU - Lalanne, L.

AU - Lassègues, P.

AU - Lim, J.

AU - Liu, Y. C.

AU - Lynch, K. M.

AU - Mcglone, A.

AU - Mei, W. C.

AU - Neyens, G.

AU - Nichols, M.

AU - Nies, L.

AU - Pašteka, L. F.

AU - Perrett, H. A.

AU - Raggio, A.

AU - Reilly, J. R.

AU - Rothe, S.

AU - Smets, E.

AU - Udrescu, S.-m.

AU - Van Den Borne, B.

AU - Wang, Q.

AU - Warbinek, J.

AU - Wessolek, J.

AU - Yang, X. F.

AU - Zülch, C.

PY - 2025/3/3

Y1 - 2025/3/3

N2 - Highly accurate and precise electronic structure calculations of heavy radioactive atoms and their molecules are important for several research areas, including chemical, nuclear, and particle physics. Ab initio quantum chemistry can elucidate structural details in these systems that emerge from the interplay of relativistic and electron correlation effects, but the large number of electrons complicates the calculations, and the scarcity of experiments prevents insightful theory-experiment comparisons. Here we report the spectroscopy of the 14 lowest excited electronic states in the radioactive molecule radium monofluoride (RaF), which is proposed as a sensitive probe for searches of new physics. The observed excitation energies are compared with state-of-the-art relativistic Fock-space coupled cluster calculations, which achieve an agreement of ≥99.64% (within ~12 meV) with experiment for all states. Guided by theory, a firm assignment of the angular momentum and term symbol is made for 10 states and a tentative assignment for 4 states. The role of high-order electron correlation and quantum electrodynamics effects in the excitation energies is studied and found to be important for all states.

AB - Highly accurate and precise electronic structure calculations of heavy radioactive atoms and their molecules are important for several research areas, including chemical, nuclear, and particle physics. Ab initio quantum chemistry can elucidate structural details in these systems that emerge from the interplay of relativistic and electron correlation effects, but the large number of electrons complicates the calculations, and the scarcity of experiments prevents insightful theory-experiment comparisons. Here we report the spectroscopy of the 14 lowest excited electronic states in the radioactive molecule radium monofluoride (RaF), which is proposed as a sensitive probe for searches of new physics. The observed excitation energies are compared with state-of-the-art relativistic Fock-space coupled cluster calculations, which achieve an agreement of ≥99.64% (within ~12 meV) with experiment for all states. Guided by theory, a firm assignment of the angular momentum and term symbol is made for 10 states and a tentative assignment for 4 states. The role of high-order electron correlation and quantum electrodynamics effects in the excitation energies is studied and found to be important for all states.

UR - https://www.mendeley.com/catalogue/81659a29-5c78-3ca6-bfd2-49ba131bebc9/

U2 - 10.1038/s41467-025-55977-w

DO - 10.1038/s41467-025-55977-w

M3 - Article

C2 - 40032837

VL - 16

JO - Nature Communications

JF - Nature Communications

SN - 2041-1723

IS - 1

M1 - 2139

ER -

ID: 133519823