Published February 13, 2008
| Version v1
Journal article
The SIESTA method; developments and applicability
Creators
- 1. Department of Chemistry, University of California, Berkeley, CA 94720 (United States)
- 2. Departamento de Fisica de la Materia Condensada, C-III, Universidad Autonoma, 28049 Madrid (Spain)
- 3. Instituto de Ciencia de Materiales de Barcelona (ICMAB-CSIC), Campus de Bellaterra, 08193 Barcelona (Spain)
- 4. Nanochemistry Research Institute, Curtin University of Technology, Perth, Western Australia 6845 (Australia)
- 5. Departamento de Ciencias de la Tierra y Fisica de la Materia Condensada, Universidad de Cantabria, Avenida de Los Castros s/n, 39005 Santander (Spain)
- 6. Department of Physics, University of Illinois, Urbana, IL 61801 (United States)
- 7. Centre d'Investigacio en Nanociencia i Nanotecnologia (CSIC-ICN), Campus de Bellaterra, 08193 Barcelona (Spain)
- 8. Centro Mixto CSIC-UPV/EHU, Facultad de Quimica, Apartado 1072, 20080 San Sebastian (Spain)
Description
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
Additional details
Identifiers
- DOI
- 10.1088/0953-8984/20/6/064208;
- PII
- S0953-8984(08)64332-5;
Publishing Information
- Journal Title
- Journal of Physics. Condensed Matter
- Journal Volume
- 20
- Journal Issue
- 6
- Journal Page Range
- p. 064208
- ISSN
- 0953-8984
- CODEN
- JCOMEL
Conference
- Title
- 2. workshop on theory meets industry
- Dates
- 12-14 Jun 2007
- Place
- Vienna (Austria)
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 39063655
- Subject category
- S73: NUCLEAR PHYSICS AND RADIATION PHYSICS;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- ACCURACY; DENSITY FUNCTIONAL METHOD; GROUND STATES; S CODES; SIMULATION
- Descriptors DEC
- CALCULATION METHODS; COMPUTER CODES; ENERGY LEVELS; VARIATIONAL METHODS