Abstract
Longuet-Higgins’ theorem, which shows that the existence of intersections between potential energy surfaces may be deduced from the behaviour of the wavefunction at points remote from the intersection, is generalized to cover cases where the Hamiltonian is complex. It is concluded that an intersection due to symmetry in one region of nuclear configuration space may imply that the same surfaces intersect over a region of higher dimension and lower symmetry where their wavefunctions belong to the same symmetry species. It is shown that this behaviour occurs in d 1 octahedral complexes in the presence of spin-orbit coupling.
Keywords
Wave functionHamiltonian (control theory)Symmetry (geometry)Intersection (aeronautics)PhysicsCoupling (piping)Spin–orbit interactionPolyatomic ionMoleculeQuantum mechanicsMathematical physicsGeometryMathematicsMaterials science
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Publication Info
- Year
- 1976
- Type
- article
- Volume
- 351
- Issue
- 1664
- Pages
- 141-150
- Citations
- 97
- Access
- Closed
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Cite This
Anthony J. Stone
(1976).
Spin-orbit coupling and the intersection of potential energy surfaces in polyatomic molecules.
Proceedings of the Royal Society of London A Mathematical and Physical Sciences
, 351
(1664)
, 141-150.
https://doi.org/10.1098/rspa.1976.0134
Identifiers
- DOI
- 10.1098/rspa.1976.0134