Screened-exchange stress tensor in density functional theory

Physical Review B - Condensed Matter and Materials Physics

Volumn 73, Issue 12, 2006, Pages

  Gibson, Michael C ^a   Brand, Stuart ^a   Clark, Stewart J ^a  

^a DURHAM UNIVERSITY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33645463408     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.73.125120     Document Type: Article

References (20)

1. P. Hohenberg and W. Kohn, Phys. Rev. PRVBAK 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964).
2. W. Kohn and L. J. Sham, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.140. A1133 140, A1133 (1965).
3. J. P. Perdew and Y. Wang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.45.13244 45, 13244 (1992).
4. J. P. Perdew and Y. Wang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.33.8800 33, R8800 (1986).
5. J. P. Perdew, K. Burke, and Y. Wang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.16533 54, 16533 (1996).
6. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
7. F. Gygi and A. Baldereschi, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.34.4405 34, 4405 (1986).
8. A. Seidl, A. Görling, P. Vogl, J. A. Majewski, and M. Levy, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.53.3764 53, 3764 (1996).
9. A. Görling, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.53.7024 53, 7024 (1996).
10. M. Städele, J. A. Majewski, P. Vogl, and A. Görling, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.79.2089 79, 2089 (1997).
11. S. Chawla and A. G. Voth, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.476307 108, 4697 (1998).
12. M. Städele, M. Moukara, J. A. Majewski, P. Vogl, and A. Görling, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.10031 59, 10031 (1999).
13. K. Xiong, J. Robertson, M. C. Gibson, and S. J. Clark, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2119425 87, 183505 (2005).
14. O. H. Nielsen and R. M. Martin, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.32.3792 32, 3792 (1985).
15. R. M. Martin, Electronic Structure: Basic Theory and Methods (Cambridge University Press, Cambridge, United Kingdom, 2004).
16. M. D. Segall, P. J. D. Lindan, M. J. Probert, C. J. Pickard, P. J. Hasnip, S. J. Clark, and M. C. Payne, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/11/301 14, 2717 (2002).
17. S. J. Clark, M. D. Segall, C. J. Pickard, P. J. Hasnip, M. J. Probert, K. Refson, and M. C. Payne, Zeit. Kryst. 220, 567 (2005).
18. L. Kleinman and D. M. Bylander, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.48.1425 48, 1425 (1982).
19. M. H. Lee, Ph.D. thesis, University of Cambridge, 1994.
20. Semiconductors-Basic Data, edited by, O. Madelung, (Springer, New York, 1996).