| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5384685 | Chemical Physics Letters | 2011 | 6 Pages |
Abstract
âºWe calculate PESs and Non-Adiabatic Coupling Terms by ab initio method on the excited states of Na3. ⺠Four conical intersections (CIs) in 22Eâ² states are suspected from Non-Adiabatic Coupling Terms. ⺠Adiabatic to Diabatic transformation matrix elements' (diagonal) sign changes are observed. ⺠Longuet-Higgins' sign flip is demonstrated in order to confirm the existence of four CIs.
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Physical and Theoretical Chemistry
Authors
Amit Kumar Paul, Somrita Ray, Debasis Mukhopadhyay, Satrajit Adhikari,