The role of core electrons in quantum dynamics using TDDFT

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The role of core electrons in quantum dynamics using TDDFT

Foglia, Nicolas Oscar, Morzan, Uriel N., Estrin, Dario A, Scherlis, Damian A., Gonzalez Lebrero, Mariano Camilo
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Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.6b00771
Date:
November, 2016
File:
PDF, 813 KB
english, 2016
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