# Studies of the Jahn-Teller effect .II. The dynamical problem

@article{LonguetHiggins1958StudiesOT, title={Studies of the Jahn-Teller effect .II. The dynamical problem}, author={Hugh Christopher Longuet-Higgins and U. {\"O}pik and Maurice Henry Lecorney Pryce and Robert A. Sack}, journal={Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences}, year={1958}, volume={244}, pages={1 - 16} }

This paper examines the vibronic energy levels of a symmetrical non-linear molecule in a spatially doubly degenerate electronic state which is split in first order by a doubly degenerate vibrational mode. The vibronic levels are classified by a quantum number, which in certain cases is formally related to the combined angular momentum of electronic and vibrational motion, and numerical values are obtained for the energies of these levels as functions of this quantum number and a dimensionless…

## 668 Citations

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The multistate vibronic dynamics in the X 2E1g-Ẽ 2B2u electronic states of the benzene radical cation is investigated theoretically by an ab initio quantum-dynamical approach. The vibronic coupling…

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The first part of this paper shows how the ordinary Born‐Oppenheimer approximation for separating nuclear and electronic motion can be adapted to a degenerate electronic state. To set up equations of…

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A quantitative treatment invoking first-order Jahn-Teller interaction together with spin-orbit coupling is employed to determine the energy levels of 2E electronic states of C3v type molecules. Both…

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A seemingly irreversible behavior of the system dynamics in this strictly microscopic treatment is confirmed and the importance of this benchmark system to highlight complex, entangled multimode, and multistate vibronic dynamics is pointed out.

### Multistate vibronic interactions in difluorobenzene radical cations. II. Quantum dynamical simulations.

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Ultrafast internal conversion processes within the electronic manifolds in question demonstrate the strength of the nonadiabatic coupling effects and complement the analogous findings for the electronic spectra.

## References

SHOWING 1-2 OF 2 REFERENCES

### Relaxation Processes and Inertial Effects II: Free Rotation in Space

- Physics
- 1957

The calculations of the effect of inertia on the dielectric properties of systems of identical non-interacting rigid dipoles with various types of fluctuation are extended to the case of free…

### Introduction to Quantum Mechanics

- Physics
- 1960

I. THEORY. 1. The Wave Function. 2. The Time-Independent Schrodinger Equation. 3. Formalism. 4. Quantum Mechanics in Three Dimensions. 5. Identical Particles. II. APPLICATIONS. 6. Time-Independent…