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Laser induced thermal desorption of hydrogen from Zr(0 0 0 1): Relationship to water dissociation and hydrogen dissolution

✍ Scribed by Yuhai Hu; Keith Griffiths; Peter R Norton; Guillaume Bussière; John Hepburn


Book ID
108280572
Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
204 KB
Volume
601
Category
Article
ISSN
0039-6028

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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-