Detection of avoided crossings by fidelity
✍ Scribed by Patrick Plötz; Michael Lubasch; Sandro Wimberger
- Book ID
- 108237210
- Publisher
- Elsevier Science
- Year
- 2011
- Tongue
- English
- Weight
- 381 KB
- Volume
- 390
- Category
- Article
- ISSN
- 0378-4371
No coin nor oath required. For personal study only.
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In polyatomic molecules, the Wigner-van Neumann non-crossmg rule is generally relaxed because of the cxistcncc of more than a single nuclear coordinate. Potential energy surfaces may or may not intersect. There is an interesting class of states where an intersection cannot occur if only the dominant
## Abstract A purely mathematical heuristic model is examined in order to explain the existence of an avoided crossing between two dispersion curves calculated for a certain potential energy surface designed to simulate the dynamics of a linear polyethylene chain. The model shows that a third mode