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Título

Comment on “Correlated electron-nuclear dynamics: Exact factorization of the molecular wavefunction” [J. Chem. Phys. 137, 22A530 (2012)]

AutorAlonso, José Luis CSIC ORCID; Clemente-Gallardo, Jesús; Echenique, Pablo CSIC ORCID; Jover-Galtier, Jorge Alberto
Palabras clavenorm conservation
Hybrid models
quantum-classical
Fecha de publicación28-ago-2013
EditorAmerican Institute of Physics
CitaciónJ. Chem. Phys. 139, 087101 (2013)
ResumenIn spite of the relevance of the proposal introduced in the recent work by Abedi, Maitra, and Gross [J. Chem. Phys. 137, 22A530 (2012)], there is an important ingredient which is missing. Namely, the proof that the norms of the electronic and nuclear wavefunctions which are the solutions to the nonlinear equations of motion are preserved by the evolution. To prove the conservation of these norms is precisely the objective of this Comment.
Versión del editorhttp://jcp.aip.org/resource/1/jcpsa6/v139/i8/p087101_s1
URIhttp://hdl.handle.net/10261/81086
DOI10.1063/1.4818521
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