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Título: | Comment on “Correlated electron-nuclear dynamics: Exact factorization of the molecular wavefunction” [J. Chem. Phys. 137, 22A530 (2012)] |
Autor: | Alonso, José Luis CSIC ORCID; Clemente-Gallardo, Jesús; Echenique, Pablo CSIC ORCID; Jover-Galtier, Jorge Alberto | Palabras clave: | norm conservation Hybrid models quantum-classical |
Fecha de publicación: | 28-ago-2013 | Editor: | American Institute of Physics | Citación: | J. Chem. Phys. 139, 087101 (2013) | Resumen: | In 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 editor: | http://jcp.aip.org/resource/1/jcpsa6/v139/i8/p087101_s1 | URI: | http://hdl.handle.net/10261/81086 | DOI: | 10.1063/1.4818521 |
Aparece en las colecciones: | (IQF) Artículos |
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comment-JCP.pdf | 202,38 kB | Adobe PDF | Visualizar/Abrir |
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