Independently optimized orbital sets in grasp—the case of hyperfine structure in li i

HIGHLIGHTS

• who: Yanting Li and colleagues from the Physics, Department of Nuclear Science and Technology, Fudan University, Shanghai, China have published the research: Independently Optimized Orbital Sets in GRASPu2014The Case of Hyperfine Structure in Li i, in the Journal: Atoms 2023, 11, 4. of /2023/
• what: To alleviate the above problems the authors propose a procedure in which the orbital set is obtained by merging several separately optimized and mutually non-orthogonal orbital sets. In Table 1, the authors report the computed hyperfine interaction constants in MHz as functions of the increasing set of s, d . . .
  

   

  

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