Journal
MOLECULAR PHYSICS
Volume 119, Issue 21-22, Pages -Publisher
TAYLOR & FRANCIS LTD
DOI: 10.1080/00268976.2021.1974592
Keywords
Relativistic quantum chemistry; parity violation; radiative corrections; molecular property; coupled cluster
Funding
- Japan Society for the Promotion of Science (JSPS) KAKENHI [17J02767, 20K22553]
- JSPS Overseas Challenge Program for Young Researchers [201880193]
- Agence Nationale de la Recherche [ANR-17-CE29-0004-01]
- Grants-in-Aid for Scientific Research [20K22553, 17J02767] Funding Source: KAKEN
- Agence Nationale de la Recherche (ANR) [ANR-17-CE29-0004] Funding Source: Agence Nationale de la Recherche (ANR)
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In this study, parity-violating energies E-PV of H2X2 molecules were calculated and radiative corrections were investigated, with a maximal value of 2.38% found for H2Po2. The results may suggest limitations to the validity of effective self-energy potentials chosen in the analysis.
Parity-violating energies E-PV of the H2X2 (X = O, S, Se, Te, Po) molecules are reported, calculated as analytical expectation values at the relativistic coupled-cluster singles-and-doubles (CCSD) level using property-optimised basis sets. Radiative corrections to the E-PV was investigated using effective QED-potentials and found to reach a maximal value of 2.38% for H2Po2. However, this result depends on the choice of effective self-energy potential and may indicate limitations to their domain of validity. [GRAPHICS] .
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