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A Smolyak algorithm adapted to a system-bath separation: application to an encapsulated molecule with large amplitude motions
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A Smolyak algorithm adapted to a system-bath separation: application to an encapsulated molecule with large amplitude motions

David Lauvergnat, Ahai Chen et Yohann Scribano
Spectroscopy and Dynamics of Coupled Anharmonic Vibrations of Floppy Molecular Systems (Telluride, United States, 06/06/2022–10/06/2022)

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