A detailed analysis of the hyperfine structure (hfs) in free Li3 clusters was carried out based on ab initio calculated electron spin densities. It was found that the hyperfine splittings in high-resolution spectra of the A←X electronic transition band of the clusters give complete information on the electron spin densities at the nuclei for vibronic states.
ASJC Scopus subject areas
- Physics and Astronomy (all)
- Physical and Theoretical Chemistry