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A dynamical density field that shows the localizability of electrons: the exchange-correlation ehrenfest force

Author:
Mortera Carbonell, A. J.; Francisco Miguélez, EvelioUniovi authority; Martín Pendás, ÁngelUniovi authority; Hernández Trujillo, J.
Publication date:
2024
Publisher version:
http://dx.doi.org/10.1021/acs.jctc.4c00890
Citación:
Journal of Chemical Theory and Computation, 20(22), p. 9894-9905 (2024); doi:10.1021/acs.jctc.4c00890
Descripción física:
p. 9894-9905
URI:
https://hdl.handle.net/10651/78500
ISSN:
1549-9618
DOI:
10.1021/acs.jctc.4c00890
Patrocinado por:

Ministerio de Ciencia, Innovacion y Universidades [1137801]; Universidad Nacional Autonoma de Mexico [LANCAD-UNAM-DGTIC-103]; DGTIC-UNAM; Spanish MICIU [PID2021-122763NB-I00, 5000-9004]

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