Laser induced desorption of NO from NiO(100): Characterization of potential energy surfaces of excited states
✍ Scribed by T. Klüner; H.-J. Freund; J. Freitag; V. Staemmler
- Book ID
- 104423353
- Publisher
- Elsevier Science
- Year
- 1997
- Tongue
- English
- Weight
- 865 KB
- Volume
- 119
- Category
- Article
- ISSN
- 1381-1169
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We have implemented a mixed quantum-classical scheme for the simulation of the laser-induced desorption from surfaces. This method allows a multidimensional simulation of the desorption process on realistic time scales. Using ab initio derived potential energy surfaces, we compare the mixed quantum-
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