Transformed hamiltonian theory for HD+
- 20 February 1989
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 66 (3) , 591-603
- https://doi.org/10.1080/00268978900100351
Abstract
Previous work (Molec. Phys., 64, 165) on symmetry breaking in HD+ has been extended to include further nuclear motion effects in an adiabatic approximation. After a second unitary transformation the only operator involving derivatives with respect to R remaining in the hamiltonian is . It is shown that the new hamiltonian corresponds to an hamiltonian in hyperspheroidal coordinates; the relationship to other work is pointed out. Calculations on the vibration-rotation levels of HD+ using the transformed hamiltonian are reported and discussed.Keywords
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