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- W2029657231 abstract "Ab initio variational calculations of the low-lying rovibrational states of K2Na+ were performed. A sixth order power series expansion using an exponential Dunham variable was embedded in the Eckart-Watson Hamiltonian, which was solved variationally. The anharmonic fundamental frequencies for the breathe, bend and asymmetric stretch vibrations were calculated to be 188.2 (A1), 78.2 (A1) and 94.9 (B2) cm−1 respectively. The low-lying rovibrational states were calculated using a 560 configuration basis involving products of the vibrational eigenfunctions and plus and minus combinations of regular symmetric-top rotor functions." @default.
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- W2029657231 date "1996-10-01" @default.
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- W2029657231 title "Variational calculations of the rovibrational energy levels of K2Na+" @default.
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- W2029657231 doi "https://doi.org/10.1016/0009-2614(96)00943-8" @default.
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