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SHEN Yi-Min, LI Bo-Fu, SUN Jia-Zhong. Theoretical Study of the Spectrum of Ruby[J]. Chinese Journal of High Pressure Physics, 1990, 4(3): 167-174 . doi: 10.11858/gywlxb.1990.03.002
Citation: SHEN Yi-Min, LI Bo-Fu, SUN Jia-Zhong. Theoretical Study of the Spectrum of Ruby[J]. Chinese Journal of High Pressure Physics, 1990, 4(3): 167-174 . doi: 10.11858/gywlxb.1990.03.002

Theoretical Study of the Spectrum of Ruby

doi: 10.11858/gywlxb.1990.03.002
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  • Corresponding author: SHEN Yi-Min
  • Received Date: 01 Jan 1990
  • Rev Recd Date: 01 Jan 1990
  • Publish Date: 05 Sep 1990
  • A restricted Hartree-Fock SCF calculation on ruby was carried out. The excitation energies of d-d transition in ruby was calculated by means of irreducible tensor method based on the calculated molecular orbitals. The calculated excitation energies agree fairly well with those observed within 900 cm-1. In addition, calculation results show that the frequency of the ruby R1 line (4A12E) decreases as pressure increases.

     

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