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Ephraim Eliav: Heavy elements' calculations at the edge of accuracy: from high-precision spectroscopy to tests of fundamental physics

Wanneer:do 20-07-2017
Aanvang:11:00
Eindtijd:12:00
Waar:5114.0004

The progress on the development of novel methodsfor precision calculation of properties of heavy systems with a few valence electrons is reported. Themethodscombine size-extensive all-order approachesused for the treatment of dynamic electron correlationwith the “dressed”configuration interaction approach, which is particularly suitablefor the efficient description of non-dynamic correlationeffectsin heavy many-electron systems,described by Dirac-Coulomb-Breit Hamiltonian,recently improved by the inclusion of an efficient QED model potential of Shabaev’s group [1].The novelmethodscan also incorporate the extrapolated intermediate Hamiltonian (XIH) techniques [2] and has several methodological and computational advantages, based on opportunity to make different extrapolation procedures proceeding from the approximate intermediate Hamiltonian to the precise effective Hamiltonian. Developmentsof themethods areaimed at significant improvement in the theoretical accuracy of spectra and different non-energetic physical properties, includingvarious nuclear and parity non-conservationeffects, as well asvariation of fundamental physical constants. Presented elaborated energy spectra calculations, tests of fundamental symmetries and other applications not only require precise high-level techniques,butalso evaluation of the accuracy of the results. Excellent agreement with experiment (when available) and significant improvement compared with traditional single and multireference coupled cluster approaches is obtained(for recent reviews see [3-6]).

References:

[1] V. M. Shabaev and I. I. Tupitsyn, V. A. Yerokhin, Phys. Rev. A, 88, 012513 (2013)

[2] E. Eliav; M. J. Vilkas, Y. Ishikawa, Uzi Kaldor. J. Chem. Phys., 122, 224113 (2005).

[3] E. Eliav, U. Kaldor, in "Relativistic methods for chemists", eds. M. Barysz and Y. Ishikawa (Springer, 2010), p. 279.

[4] E. Eliav and U. Kaldor, in "Recent progress in coupled cluster methods: Theory and Applications", eds. J. Pittner, P. Charsky and J. Paldus (Springer, 2010), p. 113.

[5] E. Eliav, S. Fritzsche, and U. Kaldor., Nucl. Phys. A, 944, 518, (2015)

[6] E. Eliav, A. Borschevsky, and U. Kaldor, in “Handbook of Relativistic Quantum Chemistry”, ed. W. Liu (Springer-Verlag Berlin Heidelberg, 2015), p.825