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Deciphering Core, Valence, and Double-Core-Polarization Contributions to Parity Violating Amplitudes in 133 Cs Using Different Many-Body Methods.
- Source :
-
The journal of physical chemistry. A [J Phys Chem A] 2023 Sep 14; Vol. 127 (36), pp. 7518-7533. Date of Electronic Publication: 2023 Aug 29. - Publication Year :
- 2023
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Abstract
- This work examines the accuracy of different many-body methods for the calculations of parity violating electric dipole ( E 1 <subscript>PV</subscript> ) amplitudes in atomic systems. In the last decade, many different groups claim to achieve its accuracy below 0.5%, for the 6 s <superscript>2</superscript> S <subscript>1/2</subscript> → 7 s <superscript>2</superscript> S <subscript>1/2</subscript> transition in the <superscript>133</superscript> Cs atom. One of the major issues in these calculations is the opposite signs among the core correlation contribution from different works. To estimate E 1 <subscript>PV</subscript> of the above transition, various groups have used different many-body methods both in the linear response and sum-over-states approaches. By examining how these methods capture various electron correlation effects, we identify the underlying cause of sign discrepancies in the previously reported results. We also demonstrate how the double-core polarization effects and scaled wave functions influence estimation of the E 1 <subscript>PV</subscript> amplitudes. The comprehensive discussions provided in this work will not only aid in our understanding on the potentials of the employed many-body methods, but it will also serve as a road map for improving the E 1 <subscript>PV</subscript> calculation in the atomic systems further.
Details
- Language :
- English
- ISSN :
- 1520-5215
- Volume :
- 127
- Issue :
- 36
- Database :
- MEDLINE
- Journal :
- The journal of physical chemistry. A
- Publication Type :
- Academic Journal
- Accession number :
- 37643468
- Full Text :
- https://doi.org/10.1021/acs.jpca.3c04204