Jensen-Tsallis divergence and atomic dissimilarity for position and momentum space electron densities

Journal of Chemical Physics

Volumn 132, Issue 4, 2010, Pages

  Antolin J ^a,b   Lopez Rosa S ^b   Angulo, J C ^b   Esquivel, R O ^b,c  

^a UNIVERSITY OF ZARAGOZA   (Spain)

^b UNIVERSITY OF GRANADA   (Spain)

^c DEPARTAMENTO DE QUÍMICA   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC DENSITY; ATOMIC SYSTEM; CHARACTERISTIC PARAMETER; DIVERGENCE MEASURES; ELECTRON DENSITIES; JENSEN-SHANNON DIVERGENCE; MANY-ELECTRON SYSTEMS; MOMENTUM SPACES; NEUTRAL ATOMS; PARTICLE DENSITIES; PHYSICAL APPLICATION; RELATIVE CONTRIBUTION;

ATOMS; INFORMATION THEORY; MOMENTUM;

ELECTRONS;

EID: 75749091221     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3298911     Document Type: Article

References (46)

1. S. M. Ali and S. D. Silvey, J. R. Stat. Soc. B JSTBAJ 28, 131 (1966).
2. I. J. Taneja and P. Kumar, Inf. Sci. (N.Y.) ISIJBC 0020-0255 166, 105 (2004). 10.1016/j.ins.2003.11.002
3. P. Kumar and I. J. Taneja, Int. J. Contemp. Math. Sci. 1, 597 (2006).
4. S. Kullback and R. Leibler, Ann. Math. Stat. AASTAD 0003-4851 22, 79 (1951). 10.1214/aoms/1177729694
5. C. E. Shannon and W. Weaver, The Mathematical Theory of Communication (University of Illinois Press, Urbana, 1949).
6. J. Lin, IEEE Trans. Inf. Theory IETTAW 0018-9448 37, 145 (1991). 10.1109/18.61115
7. I. Grosse, P. Bernaola-Galván, P. Carpena, R. Román- Roldán, J. L. Oliver, and H. E. Stanley, Phys. Rev. E PLEEE8 1063-651X 65, 041905 (2002). 10.1103/PhysRevE.65.041905
8. J. Burbea and C. R. Rao, IEEE Trans. Inf. Theory IETTAW 0018-9448 28, 489 (1982). 10.1109/TIT.1982.1056497
9. I. Csiszár, Stud. Sci. Math. Hung. SSMHAX 0081-6906 2, 299 (1967).
10. A. P. Majtey, P. W. Lamberti, and D. P. Prato, Phys. Rev. A PLRAAN 1050-2947 72, 052310 (2005). 10.1103/PhysRevA.72.052310
11. R. Román-Roldán, P. Bernaola, and J. L. Oliver, Phys. Rev. Lett. PRLTAO 0031-9007 80, 1344 (1998). 10.1103/PhysRevLett.80.1344
12. J. C. Angulo, J. Antolín, S. López-Rosa, and R. O. Esquivel, Physica A PHYADX 0378-4371 389, 899 (2010). 10.1016/j.physa.2009.10. 023
13. J. F. Gómez, J. Martínez, A. M. Robles, and R. Román-Roldán, J. Math. Imaging Vision JIMVEC 0924-9907 13, 35 (2000). 10.1023/A:1008325607354 (Pubitemid 30928204)
14. W. Li, G. Stolovitzky, P. Bernaola-Galván, and J. L. Oliver, Genome Res. GEREFS 1088-9051 8, 916 (1998).
15. W. Li, Phys. Rev. Lett. PRLTAO 0031-9007 86, 5815 (2001). 10.1103/PhysRevLett.86.5815 (Pubitemid 32577036)
16. W. Li, Complexity COMPFS 1076-2787 3, 33 (1997). 10.1002/(SICI)1099- 0526(199711/12)3:2<33::AID-CPLX7>3.0.CO;2-N
17. P. Bernaola-Galván, J. L. Oliver, and R. Román- Roldán, Phys. Rev. Lett. PRLTAO 0031-9007 83, 3336 (1999). 10.1103/PhysRevLett.83.3336
18. P. Bernaola-Galván, I. Grosse, P. Carpena, J. L. Oliver, R. Román-Roldán, and H. E. Stanley, Phys. Rev. Lett. PRLTAO 0031-9007 85, 1342 (2000). 10.1103/PhysRevLett.85.1342 (Pubitemid 30912842)
19. A. K. C. Wong and M. You, IEEE Trans. Pattern Anal. Mach. Intell. ITPIDJ 0162-8828 7, 599 (1985). 10.1109/TPAMI.1985.4767707
20. M. L. Menńdez, J. A. Pardo, L. Pardo, and M. C. Pardo, J. Franklin Inst. JFINAB 0016-0032 334, 307 (1997). 10.1016/S0016-0032(96)00063-4
21. V. Barranco-López, P. Luque-Escamilla, J. Martínez-Aroza, and R. Román-Roldán, Electron. Lett. ELLEAK 0013-5194 31, 867 (1995). 10.1049/el:19950598
22. P. Carpena and P. Bernaola-Galván, Phys. Rev. B PRBMDO 0163-1829 60, 201 (1999). 10.1103/PhysRevB.60.201
23. P. W. Lamberti, A. P. Majtey, A. Borrás, M. Casas, and A. Plastino, Phys. Rev. A PLRAAN 1050-2947 77, 052311 (2008). 10.1103/PhysRevA.77. 052311 (Pubitemid 351671500)
24. A. P. Majtey, A. Borrás, M. Casas, P. W. Lamberti, and A. Plastino, Int. J. Quantum Inf. ZZZZZZ 0219-7499 6, 715 (2008). 10.1142/S0219749908004006
25. J. Antolín, J. C. Angulo, and S. López-Rosa, J. Chem. Phys. JCPSA6 0021-9606 130, 074110 (2009). 10.1063/1.3078050
26. S. López-Rosa, J. Antolín, J. C. Angulo, and R. O. Esquivel, Phys. Rev. A PLRAAN 1050-2947 80, 012505 (2009). 10.1103/PhysRevA.80. 012505
27. E. Romera and A. Nágy, Phys. Lett. A PYLAAG 0375-9601 372, 4918 (2008). 10.1016/j.physleta.2008.05.029
28. A. Ŕnyi, Proceedings of the Fourth Berkely Symp. Math. Stat. Probability, 1961 (unpublished), Vol. 1.
29. C. Tsallis and J. Statis, Physica 52, 479 (1988). 0031-8914
30. T. Koga, K. Kanayama, S. Watanabe, and A. J. Thakkar, Int. J. Quantum Chem. IJQCB2 0020-7608 71, 491 (1999). 10.1002/(SICI)1097-461X(1999)71:6<491: :AID-QUA6>3.0.CO;2-T
31. T. Koga, K. Kanayama, S. Watanabe, T. Imai, and A. J. Thakkar, Theor. Chem. Acc. TCACFW 1432-881X 104, 411 (2000). 10.1007/s002140000150
32. R. G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules (Oxford University Press, New York, 1989).
33. G. A. Henderson, Phys. Rev. A PLRAAN 1050-2947 23, 19 (1981). 10.1103/PhysRevA.23.19
34. J. C. Angulo and J. Antolín, J. Chem. Phys. JCPSA6 0021-9606 126, 044106 (2007). 10.1063/1.2429064 (Pubitemid 46372680)
35. R. Carbó-Dorca, J. Arnau, and L. Leyda, Int. J. Quantum Chem. IJQCB2 0020-7608 17, 1185 (1980). 10.1002/qua.560170612
36. Fundamentals of Molecular Similarity, edited by, R. Carbó-Dorca, X. Girones, and, P. G. Mezey, (Kluwer Academic/Plenum, New York, 2001).
37. R. A. Fisher, Proc. Cambridge Philos. Soc. PCPSA4 0068-6735 22, 700 (1925). 10.1017/S0305004100009580
38. B. R. Frieden, Science from Fisher Information (Cambridge University Press, Cambridge, 2004).
39. J. Antolín, J. C. Cuchí, and J. C. Angulo, J. Phys. B JPAPEH 0953-4075 32, 577 (1999). 10.1088/0953-4075/32/3/003
40. M. N. Do and M. Vetterli, IEEE Trans. Image Process. IIPRE4 1057-7149 11, 146 (2002). 10.1109/83.982822 (Pubitemid 34278451)
41. C. R. Rao and T. Nayak, IEEE Trans. Inf. Theory IETTAW 0018-9448 31, 589 (1985). 10.1109/TIT.1985.1057082
42. A. Ben Hamza, J. Electron. Imaging JEIME5 1017-9909 15, 013011 (2006). 10.1117/1.2177638 (Pubitemid 43810434)
43. A. F. T. Martins, N. A. Smith, E. P. Xing, P. M. Q. Aguiar, and M. A. T. Figueiredo, J. Mach. Learn. Res. ZZZZZZ 1532-4435 10, 935 (2009).
44. P. W. Lamberti and A. P. Majtey, Physica A PHYADX 0378-4371 329, 81 (2003). 10.1016/S0378-4371(03)00566-1
45. R. Benesch and V. H. Smith, Jr., Wave Mechanics: The First Fifty Years (Butterworths, London, 1973).
46. M. Hoffmann-Ostenhof and T. Hoffmann-Ostenhof, Phys. Rev. A PLRAAN 1050-2947 16, 1782 (1977). 10.1103/PhysRevA.16.1782