The translational-rotovibronic Hamiltonian for a polyatomic molecule is derived by using the Schrodinger equation in tensor form and employing the Eckart conditions (determining the nuclear-framework rotational variables). The present derivation is a unified comprehensive one by a quantum-mechanical pathway and contrasts with fragmentary previous derivations via a classical-intermediate path. The method presented affords a firm conceptual picture of the nature of the transformation and the origin of coupling terms, and avoids mathematical complexities with their residue of obscurity. The Hamiltonian for the linear molecule compared with that for the non-linear molecule differs significantly in the coupling terms, in the rotational kinetic energy term and in the U(Q) term (Watson term), which is found to be non-zero in the linear case, in contrast to previous literature. The correct form of the total angular momentum operators is also derived quantum-mechanically. / Source: Dissertation Abstracts International, Volume: 43-02, Section: B, page: 0436. / Thesis (Ph.D.)--The Florida State University, 1982.
| Identifer | oai:union.ndltd.org:fsu.edu/oai:fsu.digital.flvc.org:fsu_74770 |
| Contributors | ISLAMPOUR-KERAHROUD, GHOLAMREZA., Florida State University |
| Source Sets | Florida State University |
| Detected Language | English |
| Type | Text |
| Format | 63 p. |
| Rights | On campus use only. |
| Relation | Dissertation Abstracts International |
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