Ab initio molecular dynamics for liquid metals
- Author
- KRESSE, G; HAFNER, J
Tech. Univ. Wien, Inst. Theoretische Physik, 1040 Wien, Austria - Source
Physical review. B, Condensed matter. 1993, Vol 47, Num 1, pp 558-561 ; ref : 23 ref
- CODEN
- PRBMDO
- ISSN
- 0163-1829
- Scientific domain
- Crystallography; Metallurgy, welding; Condensed state physics
- Publisher
- American Institute of Physics, Woodbury, NY
/
American Physical Society, Woodbury, NY
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Angle liaison Approximation densité locale Densité état Energie libre Energie potentielle Energie totale Etat liquide Etude théorique Fonction corrélation paire Fonction répartition Germanium Méthode ab initio Méthode dynamique moléculaire Simulation numérique Sodium Structure électronique Théorème Hellmann Feynman
- Keyword (en)
- Bond angle Local density approximation Density of states Free energy Potential energy Total energy Liquid state Theoretical study Pair correlation function Distribution function Germanium Ab initio method Molecular dynamics method Numerical simulation Sodium Electronic structure Hellmann Feynman theorem
- Keyword (es)
- Angulo enlace Aproximación densidad local Densidad estado Energía libre Energía potencial Energía total Estado líquido Estudio teórico Función correlación par Función distribución Germanio Método ab initio Método dinámico molecular Simulación numérica Sodio Estructura electrónica Teorema Hellmann Feynman
- Keyword (de)
- Zustandsdichte Freie Energie Potentialenergie Fluessiger Zustand Theoretische Untersuchung Germanium Natrium Elektronenstruktur
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B70 Condensed matter: electronic structure, electrical, magnetic, and optical properties / 001B70A Electron states / 001B70A10 Theories and models of many electron systems
- Discipline
- Metals. Metallurgy Physics of condensed state : electronic structure, electrical, magnetic and optical properties
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 4515730
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
Access to the document
Install on your browser
DOI
10.1103/PhysRevB.47.558 
https://dx.doi.org/10.1103/PhysRevB.47.558
"O:13:\"PanistOpenUrl\":36:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000idc\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:23:\"10.1103\/PhysRevB.47.558\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:46:\"Ab initio molecular dynamics for liquid metals\";s:9:\"\u0000*\u0000jtitle\";s:36:\"Physical review. B, Condensed matter\";s:9:\"\u0000*\u0000stitle\";s:30:\"Phys. rev., B, Condens. matter\";s:7:\"\u0000*\u0000date\";s:4:\"1993\";s:9:\"\u0000*\u0000volume\";s:2:\"47\";s:8:\"\u0000*\u0000issue\";s:1:\"1\";s:8:\"\u0000*\u0000spage\";s:3:\"558\";s:8:\"\u0000*\u0000epage\";s:3:\"561\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0163-1829\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:6:\"KRESSE\";s:10:\"\u0000*\u0000aufirst\";s:1:\"G\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:1:{i:0;s:9:\"HAFNER, J\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"PRBMDO\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:46:\"Ab initio molecular dynamics for liquid metals\";s:8:\"\u0000*\u0000place\";s:12:\"Woodbury, NY\";s:6:\"\u0000*\u0000pub\";s:29:\"American Institute of Physics\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:0:\"\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Panist access
"O:12:\"IstexOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:23:\"10.1103\/PhysRevB.47.558\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:46:\"Ab initio molecular dynamics for liquid metals\";s:9:\"\u0000*\u0000jtitle\";s:36:\"Physical review. B, Condensed matter\";s:9:\"\u0000*\u0000stitle\";s:30:\"Phys. rev., B, Condens. matter\";s:7:\"\u0000*\u0000date\";s:4:\"1993\";s:9:\"\u0000*\u0000volume\";s:2:\"47\";s:8:\"\u0000*\u0000issue\";s:1:\"1\";s:8:\"\u0000*\u0000spage\";s:3:\"558\";s:8:\"\u0000*\u0000epage\";s:3:\"561\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0163-1829\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:6:\"KRESSE\";s:10:\"\u0000*\u0000aufirst\";s:1:\"G\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:1:{i:0;s:9:\"HAFNER, J\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"PRBMDO\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:46:\"Ab initio molecular dynamics for liquid metals\";s:8:\"\u0000*\u0000place\";s:12:\"Woodbury, NY\";s:6:\"\u0000*\u0000pub\";s:29:\"American Institute of Physics\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:0:\"\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Istex access
"O:16:\"UnpaywallOpenUrl\":35:{s:8:\"\u0000*\u0000email\";s:27:\"assistance-portail@inist.fr\";s:6:\"\u0000*\u0000fmt\";N;s:6:\"\u0000*\u0000doi\";s:23:\"10.1103\/PhysRevB.47.558\";s:6:\"\u0000*\u0000pii\";N;s:7:\"\u0000*\u0000pmid\";N;s:9:\"\u0000*\u0000atitle\";N;s:9:\"\u0000*\u0000jtitle\";N;s:9:\"\u0000*\u0000stitle\";N;s:7:\"\u0000*\u0000date\";N;s:9:\"\u0000*\u0000volume\";N;s:8:\"\u0000*\u0000issue\";N;s:8:\"\u0000*\u0000spage\";N;s:8:\"\u0000*\u0000epage\";N;s:8:\"\u0000*\u0000pages\";N;s:7:\"\u0000*\u0000issn\";N;s:8:\"\u0000*\u0000eissn\";N;s:9:\"\u0000*\u0000aulast\";N;s:10:\"\u0000*\u0000aufirst\";N;s:9:\"\u0000*\u0000auinit\";N;s:10:\"\u0000*\u0000auinitm\";N;s:5:\"\u0000*\u0000au\";N;s:9:\"\u0000*\u0000aucorp\";N;s:7:\"\u0000*\u0000isbn\";N;s:8:\"\u0000*\u0000coden\";N;s:8:\"\u0000*\u0000genre\";N;s:7:\"\u0000*\u0000part\";N;s:9:\"\u0000*\u0000btitle\";N;s:8:\"\u0000*\u0000title\";N;s:8:\"\u0000*\u0000place\";N;s:6:\"\u0000*\u0000pub\";N;s:10:\"\u0000*\u0000edition\";N;s:9:\"\u0000*\u0000tpages\";N;s:9:\"\u0000*\u0000series\";N;s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";N;}"
Unpaywall access
"O:16:\"EuropePMCOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:23:\"10.1103\/PhysRevB.47.558\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:46:\"Ab initio molecular dynamics for liquid metals\";s:9:\"\u0000*\u0000jtitle\";s:36:\"Physical review. B, Condensed matter\";s:9:\"\u0000*\u0000stitle\";s:30:\"Phys. rev., B, Condens. matter\";s:7:\"\u0000*\u0000date\";s:4:\"1993\";s:9:\"\u0000*\u0000volume\";s:2:\"47\";s:8:\"\u0000*\u0000issue\";s:1:\"1\";s:8:\"\u0000*\u0000spage\";s:3:\"558\";s:8:\"\u0000*\u0000epage\";s:3:\"561\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0163-1829\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:6:\"KRESSE\";s:10:\"\u0000*\u0000aufirst\";s:1:\"G\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:1:{i:0;s:9:\"HAFNER, J\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"PRBMDO\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:46:\"Ab initio molecular dynamics for liquid metals\";s:8:\"\u0000*\u0000place\";s:12:\"Woodbury, NY\";s:6:\"\u0000*\u0000pub\";s:29:\"American Institute of Physics\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:0:\"\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Europe PubMed Central access
"O:11:\"BaseOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:23:\"10.1103\/PhysRevB.47.558\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:46:\"Ab initio molecular dynamics for liquid metals\";s:9:\"\u0000*\u0000jtitle\";s:36:\"Physical review. B, Condensed matter\";s:9:\"\u0000*\u0000stitle\";s:30:\"Phys. rev., B, Condens. matter\";s:7:\"\u0000*\u0000date\";s:4:\"1993\";s:9:\"\u0000*\u0000volume\";s:2:\"47\";s:8:\"\u0000*\u0000issue\";s:1:\"1\";s:8:\"\u0000*\u0000spage\";s:3:\"558\";s:8:\"\u0000*\u0000epage\";s:3:\"561\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0163-1829\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:6:\"KRESSE\";s:10:\"\u0000*\u0000aufirst\";s:1:\"G\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:1:{i:0;s:9:\"HAFNER, J\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"PRBMDO\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:46:\"Ab initio molecular dynamics for liquid metals\";s:8:\"\u0000*\u0000place\";s:12:\"Woodbury, NY\";s:6:\"\u0000*\u0000pub\";s:29:\"American Institute of Physics\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:0:\"\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Base Search access
"O:12:\"ArXivOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:23:\"10.1103\/PhysRevB.47.558\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:46:\"Ab initio molecular dynamics for liquid metals\";s:9:\"\u0000*\u0000jtitle\";s:36:\"Physical review. B, Condensed matter\";s:9:\"\u0000*\u0000stitle\";s:30:\"Phys. rev., B, Condens. matter\";s:7:\"\u0000*\u0000date\";s:4:\"1993\";s:9:\"\u0000*\u0000volume\";s:2:\"47\";s:8:\"\u0000*\u0000issue\";s:1:\"1\";s:8:\"\u0000*\u0000spage\";s:3:\"558\";s:8:\"\u0000*\u0000epage\";s:3:\"561\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"0163-1829\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:6:\"KRESSE\";s:10:\"\u0000*\u0000aufirst\";s:1:\"G\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:1:{i:0;s:9:\"HAFNER, J\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:6:\"PRBMDO\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:46:\"Ab initio molecular dynamics for liquid metals\";s:8:\"\u0000*\u0000place\";s:12:\"Woodbury, NY\";s:6:\"\u0000*\u0000pub\";s:29:\"American Institute of Physics\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:0:\"\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
arXiv access
