The SIESTA method; Developments and applicability

Emilio Artacho; E. Anglada; O. Diéguez; J. D. Gale; A. García; J. Junquera; R. M. Martin; P. Ordejón; J. M. Pruneda; D. Sánchez-Portal; J. M. Soler

doi:10.1088/0953-8984/20/6/064208

The SIESTA method; Developments and applicability

Emilio Artacho^*, E. Anglada, O. Diéguez, J. D. Gale, A. García, J. Junquera, R. M. Martin, P. Ordejón, J. M. Pruneda, D. Sánchez-Portal, J. M. Soler

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

586 Scopus citations

Abstract

Recent developments in and around the SIESTA method of first-principles simulation of condensed matter are described and reviewed, with emphasis on (i) the applicability of the method for large and varied systems, (ii) efficient basis sets for the standards of accuracy of density-functional methods, (iii) new implementations, and (iv) extensions beyond ground-state calculations.

Original language	English
Article number	064208
Journal	Journal of Physics Condensed Matter
Volume	20
Issue number	6
DOIs	https://doi.org/10.1088/0953-8984/20/6/064208
State	Published - 13 Feb 2008
Externally published	Yes

Access to Document

10.1088/0953-8984/20/6/064208

Cite this

@article{4f372b60895848bcb545a48e1ac24d20,

title = "The SIESTA method; Developments and applicability",

abstract = "Recent developments in and around the SIESTA method of first-principles simulation of condensed matter are described and reviewed, with emphasis on (i) the applicability of the method for large and varied systems, (ii) efficient basis sets for the standards of accuracy of density-functional methods, (iii) new implementations, and (iv) extensions beyond ground-state calculations.",

author = "Emilio Artacho and E. Anglada and O. Di{\'e}guez and Gale, {J. D.} and A. Garc{\'i}a and J. Junquera and Martin, {R. M.} and P. Ordej{\'o}n and Pruneda, {J. M.} and D. S{\'a}nchez-Portal and Soler, {J. M.}",

year = "2008",

month = feb,

day = "13",

doi = "10.1088/0953-8984/20/6/064208",

language = "אנגלית",

volume = "20",

journal = "Journal of Physics Condensed Matter",

issn = "0953-8984",

publisher = "IOP Publishing Ltd.",

number = "6",

}

TY - JOUR

T1 - The SIESTA method; Developments and applicability

AU - Artacho, Emilio

AU - Anglada, E.

AU - Diéguez, O.

AU - Gale, J. D.

AU - García, A.

AU - Junquera, J.

AU - Martin, R. M.

AU - Ordejón, P.

AU - Pruneda, J. M.

AU - Sánchez-Portal, D.

AU - Soler, J. M.

PY - 2008/2/13

Y1 - 2008/2/13

N2 - Recent developments in and around the SIESTA method of first-principles simulation of condensed matter are described and reviewed, with emphasis on (i) the applicability of the method for large and varied systems, (ii) efficient basis sets for the standards of accuracy of density-functional methods, (iii) new implementations, and (iv) extensions beyond ground-state calculations.

AB - Recent developments in and around the SIESTA method of first-principles simulation of condensed matter are described and reviewed, with emphasis on (i) the applicability of the method for large and varied systems, (ii) efficient basis sets for the standards of accuracy of density-functional methods, (iii) new implementations, and (iv) extensions beyond ground-state calculations.

UR - http://www.scopus.com/inward/record.url?scp=43049102068&partnerID=8YFLogxK

U2 - 10.1088/0953-8984/20/6/064208

DO - 10.1088/0953-8984/20/6/064208

M3 - ???researchoutput.researchoutputtypes.contributiontojournal.article???

AN - SCOPUS:43049102068

SN - 0953-8984

VL - 20

JO - Journal of Physics Condensed Matter

JF - Journal of Physics Condensed Matter

IS - 6

M1 - 064208

ER -

The SIESTA method; Developments and applicability

Abstract

Access to Document

Other files and links

Fingerprint

Cite this