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- W2027667054 abstract "Three-dimensional potential-energy functions for the X2A1 and Ã2B1 states of SiH+2 have been derived from extensive ab initio multi-reference configuration interaction (MRCI) calculations. Spectroscopic constants have been derived from the potential-energy functions by second-order perturbation theory. The calculated values are in very good agreement with the experimental data and also provide a secure value for the Ao rotational constant for the X2A1 state. Rovibronic levels were calculated by a variational method which takes into account Renner–Teller coupling. Theoretically derived transition wavenumbers are in good agreement with experimental results." @default.
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- W2027667054 date "1994-01-01" @default.
- W2027667054 modified "2023-10-18" @default.
- W2027667054 title "Theoretical potential-energy functions and the rovibronic spectrum of the SiH + 2 Ion" @default.
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- W2027667054 doi "https://doi.org/10.1039/ft9949000517" @default.
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