Towards highly accurate calculations of parity violation in chiral molecules: relativistic coupled-cluster theory including QED-effects
收藏Taylor & Francis Group2023-11-21 更新2026-04-16 收录
下载链接：
https://tandf.figshare.com/articles/dataset/Towards_highly_accurate_calculations_of_parity_violation_in_chiral_molecules_relativistic_coupled-cluster_theory_including_QED-effects/16607219/2
下载链接
链接失效反馈官方服务：
资源简介：
Parity-violating energies EPV of the H<sub>2</sub>X<sub>2</sub> (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 EPV was investigated using effective QED-potentials and found to reach a maximal value of 2.38% for H<sub>2</sub>Po<sub>2</sub>. However, this result depends on the choice of effective self-energy potential and may indicate limitations to their domain of validity.
提供机构：
Saue, Trond; Sunaga, Ayaki
创建时间：
2021-12-15
