The optical spectrum in the near W region has been calculated for MO&-using the CAS SCF method with an effective core potential description of the inner shells of Mo and Cl. The results indicate that the frrst transition, at =19000 cm-', is probably formally associated with a transition between the
Calculation of the Electronic Spectrum of Li2 Using Effective Core Pseudopotentials and l -Dependent Core Polarization Potentials
โ Scribed by R. Poteau; F. Spiegelmann
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 308 KB
- Volume
- 171
- Category
- Article
- ISSN
- 0022-2852
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