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Ab initiostudies of the low-lying states of BeO

โœ Scribed by Jun Irisawa; Suehiro Iwata

Publisher
Springer
Year
1992
Tongue
English
Weight
796 KB
Volume
81
Category
Article
ISSN
1432-2234

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The equilibrium geometries, excitation energies, force constants, and vibrational frequencies of the low-lying electronic states X2B1, 2A1, 2B2, and 2A2 of the PF2 radical have been calculated at the MRSDCI level with a double zeta plus polarization basis set. Our calculated geometry, force constant