Improved basis-set incompleteness potentials for accurate density-functional theory calculations in large systems
| dc.contributor.author | Otero de la Roza, Alberto | |
| dc.contributor.author | Dilabio, Gino A. | |
| dc.date.accessioned | 2021-01-27T10:19:55Z | |
| dc.date.available | 2021-01-27T10:19:55Z | |
| dc.date.issued | 2020 | |
| dc.identifier.citation | Journal of Chemical Theory and Computation, 16(7), p. 4176-4191 (2020); doi:10.1021/acs.jctc.0c00102 | |
| dc.identifier.issn | 1549-9618 | |
| dc.identifier.uri | http://hdl.handle.net/10651/57552 | |
| dc.description.sponsorship | A.O.R. thanks the Spanish government for a Ramón y Cajal fellowship (RyC-2016-20301) and for financial support (Projects PGC2018-097520-A-100 and RED2018-102612-T) and the MALTA Consolider supercomputing centre and Compute Canada for computational resources. G.A.D. thanks the National Science and Engineering Research Council, the Canadian Foundation for Innovation, and the British Columbia Knowledge Development Fund for financial support. | |
| dc.format.extent | p. 4176-4191 | |
| dc.language.iso | eng | |
| dc.relation.ispartof | Journal of Chemical Theory and Computation | |
| dc.rights | © 2020 American Chemical Society | |
| dc.rights | CC Reconocimiento - No Comercial - Sin Obra Derivada 4.0 Internacional | |
| dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | |
| dc.source | Scopus | |
| dc.source.uri | https://www.scopus.com/inward/record.uri?eid=2-s2.0-85088486233&doi=10.1021%2facs.jctc.0c00102&partnerID=40&md5=6dc1a8ea38453e4823ebdef2dbbe1eb2 | |
| dc.title | Improved basis-set incompleteness potentials for accurate density-functional theory calculations in large systems | |
| dc.type | journal article | |
| dc.identifier.doi | 10.1021/acs.jctc.0c00102 | |
| dc.relation.projectID | RyC-2016-20301 | |
| dc.relation.projectID | PGC2018-097520-A-100 | |
| dc.relation.projectID | RED2018-102612-T | |
| dc.relation.publisherversion | http://dx.doi.org/10.1021/acs.jctc.0c00102 | |
| dc.rights.accessRights | open access | |
| dc.type.hasVersion | AM |
Files in this item
This item appears in the following Collection(s)
-
Artículos [36436]
-
Investigaciones y Documentos OpenAIRE [8087]
Publicaciones resultado de proyectos financiados con fondos públicos -
Química Física y Analítica [621]
This item is protected with a Creative Commons License