Relativistic analytical wave functions and scattering factors for neutral atoms beyond Kr and for all chemically important ions up to I-

Acta Crystallographica Section A: Foundations of Crystallography

Volumn 57, Issue 6, 2001, Pages 656-662

  Macchi, Piero ^a   Coppens, Philip ^b  

^a UNIVERSITY OF MILAN   (Italy)

^b UNIVERSITY AT BUFFALO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

IODINE; KRYPTON; LITHIUM; SILICON; XENON;

ARTICLE; IONIZATION; RADIATION SCATTERING; WAVEFORM; X RAY ANALYSIS;

EID: 0034754012     PISSN: 01087673     EISSN: None     Source Type: Journal    
DOI: 10.1107/S0108767301010182     Document Type: Article

References (14)

1. Bunge, C. F., Barrientos, J. A. & Bunge, A. V. (1993). At. Data Nucl. Data Tables, 53, 113-162.
2. Clementi, E. & Roetti, C. (1974). At. Data Nucl. Data Tables, 14, 177-478.
3. Coppens, P. (1997). X-ray Charge Density and Chemical Bonding. Oxford University Press.
4. Cromer, D. T. & Waber, J. T. (1968). Unpublished. Reported in International Tables for Crystallography (1974), Vol. IV, p. 71. Birmingham: Kynoch Press. (Present distributer: Kluwer Academic Publishers, Dordrecht.)
5. Doyle, P. A. & Turner, P. S. (1968). Acta Cryst. A24, 390-397.
6. Koga, T., Kanayama, K., Watanabe, S. & Takkar, A. J. (1999). Int. J. Quantum Chem. 71, 491-497.
7. Maslen, E. N., Fox, A. G. & O'Keefe, M. A. (1992). International Tables for Crystallography, Vol. C, edited by A. J. C. Wilson, pp. 476-511. Dordrecht, Kluwer.
8. Parpia, F. A., Froese, F. C. & Grant, I. P. (1996). Comput. Phys. Commun. 94, 249-271.
9. Rez, D., Rez, P. & Grant, I. (1994). Acta Cryst. A50, 481-497.
10. Su, Z. & Coppens, P. (1997). Acta Cryst. A53, 749-762.
11. Su, Z. & Coppens, P. (1998). Acta Cryst. A54, 646-652.
12. Wang, J., Smith, V. H., Bunge, C. & Járegui, R. (1996). Acta Cryst. A52, 649-658.
13. Watson, R. E. (1958). Phys. Rev. 111, 1108-1110.
14. Zhu, C., Byrd, R. H., Lu, P. & Nocedal, J. (1994). L-BFGS-B, Fortran Subroutine for Large-Scale Bound Constrained Optimization. Department of Electrical Engineering and Computer Science, Northwestern University, IL, USA.