Efficient calculation of Madelung constants for cubic crystals

Physical Review B - Condensed Matter and Materials Physics

Volumn 79, Issue 1, 2009, Pages

  Gaio, Michele ^a   Silvestrelli, Pier Luigi ^a,b  

^a UNIVERSITY OF PADOVA   (Italy)

^b DEMOCRITOS NATIONAL SIMULATION CENTER   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 59249096645     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.79.012102     Document Type: Article

References (11)

1. P. P. Ewald, Ann. Phys. 369, 253 (1921). 10.1002/andp.19213690304
2. E. V. Kholopov, J. Phys. A: Math. Theor. 40, 6101 (2007). 10.1088/1751-8113/40/23/007
3. R. E. Watson, J. W. Davenport, M. L. Perlman, and T. K. Sham, Phys. Rev. B 24, 1791 (1981) 10.1103/PhysRevB.24.1791
4. V. R. Marathe, S. Lauer, and A. X. Trautwein, Phys. Rev. B 27, 5162 (1983) 10.1103/PhysRevB.27.5162
5. S. E. Derenzo, M. K. Klintenberg, and M. J. Weber, J. Chem. Phys. 112, 2074 (2000). 10.1063/1.480776
6. W. A. Harrison, Phys. Rev. B 73, 212103 (2006). 10.1103/PhysRevB.73. 212103
7. Q. C. Johnson and D. H. Templeton, J. Chem. Phys. 34, 2004 (1961). 10.1063/1.1731810
8. G. Hummer, J. Electrost. 36, 285 (1996). 10.1016/0304-3886(95)00052-6
9. N. F. Mott and H. Jones, Theory of the Properties of Metals and Alloys (Dover, New York, 1958), p. 142.
10. N. W. Ashcroft and N. D. Mermin, Solid State Physics (Holt-Saunders, Philadelphia, 1976).
11. B. R. A. Nijboer and Th. W. Ruijgrok, J. Stat. Phys. 53, 361 (1988). 10.1007/BF01011562