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 b
Converging multidimensional rovibrational variational calculations: the dissociation energy of (HF)2
✍ Scribed by Mirjana Mladenović; Marius Lewerenz
- Book ID
- 108311864
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- English
- Weight
- 102 KB
- Volume
- 321
- Category
- Article
- ISSN
- 0009-2614
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Converged nine-dimensional vibrational eigenvalue calculations are reported for forty energy levels of (HF), for the case of zero total angular momentum. The effect of H-F stretching motions on the van der Waals bound states is assessed by comparing the results to seven-dimensional calculations in w
Accurate variational calculations of energies of highly excited rovibrational states of 12 C 16 O 2 using a Lanczos recursion are presented. In a first step, we use experimental rovibrational transition frequencies to determine by a least-square fitting procedure a potential energy surface for the C
On p. 229, on top of the left column, the phrase which reads: "the number of nodes used for the results presented here was lo-12" should instead read "the number of nodes used for the results presented here was 5-7". On p. 302, Section 5, the phrase "a similar potential energy surface" should read "