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- W3199058687 abstract "Parity-violating energies $E_{PV}$ of the $H_2X_2$ 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-optimized 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 $H_2Po_2$ . However, this result depends on the choice of effective self-energy potential and may indicate limitations to their domain of validity." @default.
- W3199058687 created "2021-09-27" @default.
- W3199058687 creator A5084672632 @default.
- W3199058687 creator A5090413609 @default.
- W3199058687 date "2021-09-10" @default.
- W3199058687 modified "2023-10-16" @default.
- W3199058687 title "Towards highly accurate calculations of parity violation in chiral molecules: relativistic coupled-cluster theory including QED-effects" @default.
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