Calculation of atomic integrals between relativistic functions by means of algebraic methods
收藏DataCite Commons2025-04-01 更新2025-04-16 收录
下载链接：
https://data.mendeley.com/datasets/xycmhhcr5h
下载链接
链接失效反馈官方服务：
资源简介：
We propose the use of Sturmian basis set for relativistic atomic structure calculations. We describe a numerically stable algebraic calculation of one- and two-particle radial integrals. The method is illustrated on the basis set independent calculation of energies, electric dipole moments, hyperfine integrals and parity non-conserving (PNC) amplitude for Cs in Dirac-Hartree-Fock approximation with frozen core orbitals. The previously reported results for electric dipole moments and PNC amplitude are found to be strongly basis dependent.
提供机构：
Mendeley
创建时间：
2022-08-30
