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Partitioning the DFT exchange-correlation energy in line with the interacting quantum atoms approach
| dc.contributor.author | Francisco Miguélez, Evelio | |
| dc.contributor.author | Casals Sainz, José Luis | |
| dc.contributor.author | Rocha Rinza, Tomás | |
| dc.contributor.author | Martín Pendás, Ángel | |
| dc.date.accessioned | 2017-02-01T07:40:52Z | |
| dc.date.available | 2017-02-01T07:40:52Z | |
| dc.date.issued | 2016 | |
| dc.identifier.citation | Theoretical Chemistry Accounts, 135(7), p. 170- (2016); doi:10.1007/s00214-016-1921-x | |
| dc.identifier.issn | 1432-881X | |
| dc.identifier.uri | http://hdl.handle.net/10651/40014 | |
| dc.description.sponsorship | 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. | |
| dc.format.extent | p. 170- | |
| dc.language.iso | eng | |
| dc.relation.ispartof | Theoretical Chemistry Accounts | |
| dc.rights | ©, | |
| dc.source | Scopus | |
| dc.source.uri | https://www.scopus.com/inward/record.uri?eid=2-s2.0-84977574214&partnerID=40&md5=2fc437e8714d9555af7b214e3d4ca578 | |
| dc.title | Partitioning the DFT exchange-correlation energy in line with the interacting quantum atoms approach | |
| dc.type | journal article | |
| dc.identifier.doi | 10.1007/s00214-016-1921-x | |
| dc.relation.projectID | MINECO/CTQ2012-31174 | |
| dc.relation.projectID | DGTIC/UNAM /SC16-1-IG-99 | |
| dc.relation.projectID | CONACyT-Mexico /253776 | |
| dc.relation.projectID | DGAPA/UNAM /IN209715 | |
| dc.relation.publisherversion | http://dx.doi.org/10.1007/s00214-016-1921-x |
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