Open AccessDV-X2 CALCULATIONS FOR THE CRYSTAL-FIELD SPECTRA OF RUBY
Author(s) -
Jiali Yang,
Shuang Xia,
Kelin Wang
Publication year - 1990
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.39.1835
Subject(s) - crystal (programming language) , spectral line , field (mathematics) , materials science , atomic physics , transition metal , condensed matter physics , molecular physics , physics , chemistry , quantum mechanics , computer science , biochemistry , mathematics , pure mathematics , programming language , catalysis
Using a DV-X2 method of calculating the crystal-field spectra of transition-metal complexes in [1] , we calculated all the crystal-field transition energies of ruby non-empirecally. The results obtained are in good agreement with the experimental data.