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Partitioning the DFT exchange-correlation energy in line with the interacting quantum atoms approach

Author:
Francisco Miguélez, EvelioUniovi authority; Casals Sainz, José Luis; Rocha Rinza, Tomás; Martín Pendás, ÁngelUniovi authority
Publication date:
2016
Publisher version:
http://dx.doi.org/10.1007/s00214-016-1921-x
Citación:
Theoretical Chemistry Accounts, 135(7), p. 170- (2016); doi:10.1007/s00214-016-1921-x
Descripción física:
p. 170-
URI:
http://hdl.handle.net/10651/40014
ISSN:
1432-881X
DOI:
10.1007/s00214-016-1921-x
Patrocinado por:

The authors thank the Spanish MINECO, Grant CTQ2012-31174, for financial support. T. R-R gratefully acknowledges computer time from DGTIC/UNAM (project SC16-1-IG-99) and funding from CONACyT-Mexico and DGAPA/UNAM, Grants 253776 and IN209715 respectively. Additionally, T. R.-R. is also thankful to David Vazquez Cuevas, Gladys Cortes Romero and Magdalena Aguilar Araiza for technical support.

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