Simulation of laser-induced desorption o
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C. Bach; T. Klüner; A. Groß
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Article
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2003
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Elsevier Science
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English
⚖ 225 KB
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-