Tight approximations to total scattering intensities from electron-pair density quantities

Physics Letters, Section A: General, Atomic and Solid State Physics

Volumn 230, Issue 5-6, 1997, Pages 324-329

  Cuchi J C ^a   Antolin J ^b   Zarzo, A ^c,d   Angulo, J C ^c,e  

^a UNIVERSITY OF LLEIDA   (Spain)

^b UNIVERSITY OF ZARAGOZA   (Spain)

^c UNIVERSITY OF GRANADA   (Spain)

^d UNIVERSIDAD POLITÉCNICA DE MADRID   (Spain)

^e UNIVERSITY OF GRANADA   (Spain)

Author keywords

Electron pair density; Maximum entropy; P de approximants; Structure factors

Indexed keywords

APPROXIMANTS; ATOMIC WAVE FUNCTION; ELECTRON PAIR DENSITY; GLOBAL QUANTITIES; SCATTERING INTENSITY; STRUCTURE FACTORS; TOTAL SCATTERING;

MAXIMUM ENTROPY METHODS;

EID: 0043100135     PISSN: 03759601     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0375-9601(97)00249-1     Document Type: Article

References (35)

1. R. Benesch and V.H. Smith Jr., Acta Cryst. A 26 (1970) 579; E.R. Davidson, Reduced density matrices in quantum chemistry (Academic, New York, 1976).
2. R. Benesch and V.H. Smith Jr., Acta Cryst. A 26 (1970) 579; E.R. Davidson, Reduced density matrices in quantum chemistry (Academic, New York, 1976).
3. K. Nishikawa and T. Iijima, J. Chem. Phys. 87 (1987) 3753.
4. R.S. Barbieri and R.A. Bonham, Phys. Rev. A 44 (1991) 7361.
5. A.J. Thakkar and V.H. Smith Jr., J. Phys. B. 11 (1978) 3803.
6. J.J. McClelland and M. Fink, Phys. Rev. Lett. 54 (1985) 2218.
7. A. Duguet, A. Laman Bennani and M. Roualt, J. Chem. Phys. 79 (1983) 2786.
8. J. Wang, A.N. Tripathi and V .H. Smith Jr., J. Chem. Phys. 101 (1994) 4842.
9. J. Wang, R.O. Esquivel, V.H. Smith Jr. and C.S. Bunge, Phys. Rev. A 51 (1995) 3812.
10. A.J. Thakkar and T. Koga, J. Chem. Phys. 83 (1985) 747.
11. A.J. Thakkar and V.H. Smith Jr., Chem. Phys Lett. 42 (1976) 476.
12. V.H. Smith Jr., Chem. Phys Lett. 7 (1970) 226.
13. O. Goscinski and P. Lindner, J. Chem. Phys. 54 (1970) 2539.
14. A.J. Thakkar and V.H. Smith Jr., J. Chem. Phys. 67 (1977) 1191.
15. J.S. Dehesa, J.C. Angulo, T. Koga and K. Matsui, Z. Phys. D 25 (1992) 9.
16. J.S. Dehesa, J.C. Angulo, T. Koga and K. Matsui, Phys. Rev. A 47 (1993) 5202.
17. J.S. Dehesa, J.C. Angulo, T. Koga and Y. Kasai, Phys. Rev. A 50 (1994) 857.
18. J. Antolín, A. Zarzo and J.C. Angulo, Phys. Rev. A 50 (1994) 240.
19. L.R. Mead and N. Papanicolau, J. Math. Phys. 25 (1984) 2404.
20. E.T. Jaynes, Phys. Rev. 106 (1957) 620 and 108 (1957) 171.
21. E.T. Jaynes, Phys. Rev. 106 (1957) 620 and 108 (1957) 171.
22. A. Tagliani, J. Math. Phys. 34 (1993) 326.
23. M.J. Leaseburg and L.R. Mead, J. Math. Phys. 34 (1993) 6009.
24. S.B. Sears and S.R. Cadre, J. Chem. Phys. 75 (1981) 4626.
25. A. Tagliani, private communication.
26. J. Antolín, J. Math. Phys. 31 (1990) 791.
27. T. Koga and K. Matsui, Z. Phys. D 27 (1993) 97.
28. CT. Corcoran and P.W. Langhoff, J. Math. Phys. 18 (1977) 651.
29. J.C. Wheeler and R.G. Gordon, in: The Padé approximants in theoretical physics, eds. G.A. Baker and J.L. Gammel (Academic Press, New York, 1970) pp. 99-128.
30. J. Antolín, A. Zarzo and J.C. Angulo, Phys. Rev. A 48 (1993) 4149.
31. G.A. Baker Jr. and P. Graves-Morris, Padé Approximants. Part II: Extensions and Applications, Encyclopedia of mathematics and its applications. Vol. 14 (Addison-Wesley, Reading, MA, 1981).
32. A. Draux,Lecture notes in mathematics, Vol. 1237 (Springer, Berlin, 1987) pp. 51-62.
33. P. González-Vera and L. Casasús, Lecture notes in mathematics, Vol. 1171 (Springer, Berlin, 1985) pp. 408-418.
34. P. González-Vera and O. Njastad, J. Comput. Appl. Math. 32 (1990) 97.
35. A. Sarsa, E. Buendía and F.J. Gálvez, private communication.