Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1411831 | Journal of Molecular Structure | 2007 | 5 Pages |
Abstract
Correct boundary conditions for wavefunctions in the E ⊗ e dynamic Jahn–Teller problem explicitly is considered to obtain approximate analytical solutions in the strong coupling limit. We demonstrate that the pseudorotational energy j2/(2g2), where g is the dimensionless vibronic coupling constant, and j total angular momentum: j = 1/2, 3/2, …, in the conventional strong coupling expression for the vibronic levels of the lower sheet is exact. However, it is found that in the conventional treatment a term of the order of 1/g2 is missing. The solutions for the upper sheet with correct boundary conditions gives those which are entirely different from the corresponding Slonczewski’s solutions.
Related Topics
Physical Sciences and Engineering
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Authors
Tohru Sato, Liviu F. Chibotaru, Arnout Ceulemans,