Files in this item
| Files | Description | Format |
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application/pdf  641516.pdf (2MB) | Presentation | |
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application/pdf 1748.pdf (15kB) | Abstract | |
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application/vnd.openxmlformats-officedocument.presentationml.presentation  641516.pptx (11MB) | Presentation | Microsoft PowerPoint 2007 |
Description
| Title: | Saddle point localization of molecular wavefunctions |
| Author(s): | Mellau, Georg Ch. |
| Contributor(s): | Field, Robert W.; Zobov, Nikolay Fedorovich; Polyansky, Oleg; Kyuberis, Aleksandra |
| Subject(s): | Spectroscopy of Large Amplitude Motions |
| Abstract: | The quantum mechanical description of isomerization is based on bound eigenstates of the molecular potential energy surface. For the near-minimum regions there is a textbook-based relationship between the potential and eigenenergies. Here we show how the saddle point region that connects the two minima is encoded in the energy levels and wave functions of the potential energy surface. |
| Issue Date: | 2016-06-20 |
| Publisher: | International Symposium on Molecular Spectroscopy |
| Genre: | Conference Paper/Presentation |
| Type: | Text |
| Language: | En |
| URI: | http://hdl.handle.net/2142/91214 |
| Rights Information: | Copyright 2016 by the authors |
| Date Available in IDEALS: | 2017-01-26 |