Lattice structure of mercury: Influence of electronic correlation

Physical Review B - Condensed Matter and Materials Physics

Volumn 74, Issue 9, 2006, Pages

  Gaston, Nicola ^a   Paulus, Beate ^a   Rosciszewski, Krzysztof ^b   Schwerdtfeger, Peter ^c   Stoll, Hermann ^d  

^a MAX PLANCK INSTITUT FÜR PHYSIK KOMPLEXER SYSTEME   (Germany)

^b JAGIELLONIAN UNIVERSITY   (Poland)

^c MASSEY UNIVERSITY   (New Zealand)

^d UNIVERSITY OF STUTTGART   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33748705980     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.74.094102     Document Type: Article

References (26)

1. CRC Handbook of Chemistry and Physics (CRC Press, New York, 1997).
2. R. M. Dreizler and E. K. U. Gross, Density Functional Theory (Springer-Verlag, Berlin, 1990).
3. A Primer in Density Functional Theory, edited by, C. Fiolhais,,, F. Nogueira,, and, M. Marques,, Lecture Notes in Physics Vol. 620 (Springer, Berlin, 2003).
4. R. O. Jones and O. Gunnarsson, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.61.689 61, 689 (1989).
5. J. P. Perdew, in Density Functional Theory, edited by, E. K. U. Gross, and, R. M. Dreizler, (Plenum Press, New York, 1995), p. 51.
6. G. E. Moyano, R. Wesendrup, T. Söhnel, and P. Schwerdtfeger, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.89.103401 89, 103401 (2002).
7. N. Gaston and P. Schwerdtfeger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.74.024105 74, 024105 (2006).
8. B. Paulus, K. Rosciszewski, P. Sony, and U. Wedig (unpublished).
9. B. Paulus and K. Rosciszewski, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/j.cplett.2004.06.118 394, 96 (2004).
10. B. Paulus, K. Rosciszewski, N. Gaston, P. Schwerdtfeger, and H. Stoll, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.165106 70, 165106 (2004).
11. P. P. Singh, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.49.4954 49, 4954 (1994).
12. P. P. Singh, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.72. 2446 72, 2446 (1994).
13. V. R. Saunders, R. Dovesi, C. Roetti, program CRYSTAL98 (Theoretical Chemistry Group, University of Torino, 1998).
14. D. Andrae, U. Häussermann, M. Dolg, H. Stoll, and H. Preuss, Theor. Chim. Acta TCHAAM 0040-5744 10.1007/BF01114537 77, 123 (1990). (The f and g projectors are omitted in the CRYSTAL code.)
15. U. Haeussermann (1988). Available from www.theochem.uni-stuttgart.de/ pseudopotentials/
16. B. Paulus, Phys. Rep. PRPLCM 0370-1573 10.1016/j.physrep.2005.08.007 421, 1 (2006).
17. K. Rosciszewski, B. Paulus, P. Fulde, and H. Stoll, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.60.7905 60, 7905 (1999).
18. P. Schwerdtfeger, N. Gaston, R. P. Krawczyk, R. Tonner, and G. E. Moyano, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.064112 73, 064112 (2006).
19. H. Haberland, H. Kornmeier, H. Langosch, M. Oschwald, and G. Tanner, J. Chem. Soc., Faraday Trans. JCFTEV 0956-5000 10.1039/ft9908602473 86, 2473 (1990).
20. W. Küchle, M. Dolg, H. Stoll, and H. Preuss, Mol. Phys. MOPHAM 0026-8976 10.1080/00268979100102941 74, 1245 (1991).
21. J. M. Foster and S. F. Boys, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.32.296 32, 296 (1960).
22. C. Hampel, K. Peterson, and H.-J. Werner, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(92)86093-W 190, 1 (1992).
23. M. J. O. Deegan and P. J. Knowles, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(94)00815-9 227, 321 (1994).
24. MOLPRO version 2002.6 - a package of ab initio programs written by H.-J. Werner, P. J. Knowles, R. Lindh, M. Schütz, and others (see http://www.molpro.net) (Birmingham, UK, 2003).
25. E. Grüneisen and O. Sckell, Ann. Phys. ANPYA2 0003-3804 19, 387 (1934).
26. H. B. Huntingdon, Solid State Phys. SSPHAE 0081-1947 7, 282 (1958).