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Ab initio MRSDCI study on the low-lying electronic states of the lithium chloride molecule (LiCl)

✍ Scribed by Kurosaki, Yuzuru; Yokoyama, Keiichi


Book ID
121849880
Publisher
American Institute of Physics
Year
2012
Tongue
English
Weight
992 KB
Volume
137
Category
Article
ISSN
0021-9606

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Ab initio study of four low-lying electr
✍ Z.-L. Cai; X.-G. Zhang; X.-Y. Wang πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 499 KB

The equilibrium geometries, excitation energies, force constants and vibrational frequencies for the low-lying electronic states X %-, a 'A, A 3n and 1 'II of the CCS molecule have been calculated at the MRSDCI level with a double-zeta plus polarization basis set. Our optimized geometric parameters