Minimum-cross-entropy estimation of electron-pair densities from scattering intensities

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

Volumn 260, Issue 3-4, 1999, Pages 247-252

  Antolin J ^a   Cuchi J C ^b   Angulo, J C ^c,d  

^a UNIVERSITY OF ZARAGOZA   (Spain)

^b UNIVERSITY OF LLEIDA   (Spain)

^c UNIVERSITY OF GRANADA   (Spain)

^d UNIVERSITY OF GRANADA   (Spain)

Author keywords

Electron pair density; Minimum cross entropy; Scattering intensities

Indexed keywords

ENTROPY;

ATOMIC SYSTEM; ELECTRON PAIR DENSITY; FOUR ELECTRONS; MINIMUM CROSS ENTROPY; SCATTERING INTENSITY; TOTAL SCATTERING;

ELECTRONS;

EID: 0008966254     PISSN: 03759601     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0375-9601(99)00426-0     Document Type: Article

References (20)

1. R.G. Parr, W. Yang, Density Functional Theory of Atoms and Molecules, Oxford University Press, New York, 1989.
2. E.S. Kryachko, E.V. Ludeña, Energy Functional Density Theory of Many-Electron Systems, Kluwer, Dordrecht, 1990.
3. K. Nishikawa, T. Iijima, J. Chem. Phys. 87 (1987) 3753.
4. R.S. Barbieri, R.A. Bonham, Phys. Rev. A 44 (1991) 7361.
5. A.J. Thakkar, V.H. Smith Jr., Chem. Phys. Lett. 42 (1976) 476.
6. J.S. Dehesa, J.C. Angulo, T. Koga, K. Matsui, Z. Phys. D 25 (1992) 9.
7. J.S. Dehesa, J.C. Angulo, T. Koga, K. Matsui, Phys. Rev. A 47 (1993) 5202.
8. J.M. Ugalde, C. Sarasola, Phys. Rev. A 49 (1994) 3081.
9. J. Wang, R.O. Esquivel, V.H. Smith Jr., C.S. Bunge, Phys. Rev. A 51 (1995) 3812.
10. J. Wang, A.N. Tripathi, V.H. Smith Jr., J. Chem. Phys. 101 (1994) 4842.
11. A.J. Thakkar, T. Koga, J. Chem. Phys. 83 (1985) 747.
12. J.C. Cuchí, J. Antolín, A. Zarzo, J.C. Angulo, Phys. Lett. A 230 (1997) 321.
13. E.T. Jaynes, in: R.D. Levine, M. Tribus (Eds.), The Maximum Entropy Formalism, MIT Press, Boston, 1978, pp. 15-118.
14. S. Ihara, Information Theory for Continuous Systems, World Scientific, Singapore, 1993.
15. J.N. Kapur, H.K. Kasevan, Entropy Optimization Principles with Applications, Oxford University Press, New York, 1992.
16. J. Antolín, A. Zarzo, J.C. Angulo, Phys. Rev. A 50 (1994) 240.
17. T. Koga, K. Matsui, Z. Phys. D 27 (1993) 97.
18. A. Sarsa, F.J. Gálvez, E. Buendía, J. Chem. Phys. 109 (1998) 7075.
19. T. Koga, Theor. Chim. Acta 64 (1984) 249.
20. J. Antolín, J.C. Cuchí, A. Zarzo, J.C. Angulo, J. Phys. B 29 (1996) 5629.