Beyond the x-K relations
- 20 April 1989
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 66 (6) , 1129-1137
- https://doi.org/10.1080/00268978900100751
Abstract
Explicit formulae are given for all off-diagonal 1–1 and 2–2 resonance terms in the vibrational hamiltonian following the first contact transformation. Such formulae are needed to test the quantitative accuracy of the generalized x-K relation recently published by Della Valle. These formulae are used in a test calculation for linear HCN and DCN and are found only modestly to improve the predicted energy levels for the former, but dramatically improve those of the latter.Keywords
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