On the sensitivity of electron and X-ray scattering factors to valence charge distributions

Journal of Applied Crystallography

Volumn 38, Issue 4, 2005, Pages 648-656

  Zheng, Jin Cheng ^a   Zhu, Yimei ^a   Wu, Lijun ^a   Davenport, James W ^a  

^a BROOKHAVEN NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 23744445298     PISSN: 00218898     EISSN: None     Source Type: Journal    
DOI: 10.1107/S0021889805016109     Document Type: Article

References (27)

1. Blaha, P., Schwarz, K., Madsen, G., Kvasnicka, D. & Luitz, J. (2001). Wien2k, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties (Karlheinz Schwarz, Techn. Universitat Wien, Austria), ISBN 3-9501031-1-2.
2. Coppens, P. (1997). X-ray Charge Densities and Chemical Bonding. IUCr/Oxford University Press.
3. Engel, E. & Vosko, S. H. (1993). Phys. Rev. B, 47, 13164-13174.
4. Friis, J., Madsen, G. K. H., Larsen, F. K., Jiang, B., Marthinsen, K. & Holmestad, R. (2003). J. Chem. Phys. 119, 11359-11366.
5. Hahn, T. (2002). Editor. International Tables for Crystallography, Vol. A. Dordrecht: Kluwer.
6. Hohenberg, P. & Kohn, W. (1964). Phys. Rev. 136, B864-B871.
7. Jiang, B., Zuo, J. M., Jiang, N., O'Keeffe, M. & Spence, J. C. H. (2003). Acta Cryst. A59, 341-350.
8. Kohn, W. & Sham, L. J. (1965). Phys. Rev. 140, A1133-A1138.
9. Lu, Z. W., Zunger, A. & Deutsch, M. (1993). Phys Rev B, 47, 9385-9410.
10. Lu, Z. W., Zunger, A. & Deutsch, M. (1995). Phys. Rev. B. 52, 11904-11911.
11. Mott, N. F. & Massey, H. S. W. (1965). The Theory of Atomic Collisions. Oxford: Clarendon.
12. Parr, R. G. & Yang, W. T. (1989). Density-Functional Theory of Atoms and Molecules. Oxford University Press.
13. Peng, L. (1997). Acta Cryst. A53, 663-672.
14. Perdew, J. P., Burke S. & Ernzerhof, M. (1996). Phys. Rev. Lett. 77, 3865-3868.
15. Perdew, J. P. & Wang, Y. (1992). Phys. Rev. B, 45, 13244-13249.
16. Rez, D., Rez, P. & Grant, I. (1994). Acta Cryst. A50, 481-497.
17. Spence, J. C. H. & Zuo, J. M. (1992). Electron Microdiffraction. New York: Plenum Press.
18. Su, Z. & Coppens, P. (1997). Acta Cryst. A53, 749-762.
19. Taftø, J., Zhu, Y. & Wu, L. (1998). Acta Cryst. A54, 532-542.
20. Tsirelson, V., Stash, A., Kohout, M., Rosner, H., Mori, H., Sato, S., Lee, S., Yamamoto, A., Tajima, S. & Grin, Yu. (2003). Acta Cryst. B59, 575-583.
21. Wu, L., Zhu, Y., Vogt, T., Su, H. & Davenport, J. W. (2004). Phys. Rev. B, 69, 064501.
22. Zhu, Y. & Taftø, J. (1997). Philos. Mag. B, 75, 785-791.
23. Zhu, Y., Wu, L. & Taftø, J. (2003). Microsc. Microanal. 9, 442-456.
24. Zuo, J. M. (1993). Acta Cryst. A49, 429-435.
25. Zuo, J. M., Blaha, P. & Schwarz, K. (1997). J. Phys. Condens. Matter, 9, 7541-7561.
26. Zuo, J. M., Kim, M., O'Keeffe, M. & Spence, J. C. H. (1999). Nature (London), 401, 49-52.
27. Zuo, J. M., O'Keeffe, M., Rez, P. & Spence, J. C. H. (1997). Phys. Rev. Lett. 78, 4777-4780.