Skip to main content
Log in

Entropy and complexity analysis of the \(D\)-dimensional rigid rotator and hyperspherical harmonics

  • Original Paper
  • Published:
Journal of Mathematical Chemistry Aims and scope Submit manuscript

Abstract

In this paper we carry out an information-theoretic analysis of the \(D\)-dimensional rigid rotator by studying the entropy and complexity measures of its wavefunctions, which are controlled by the hyperspherical harmonics. These measures quantify single and two-fold facets of the rich intrinsic structure of the system which are manifest by the intricate and complex variety of \(D\)-dimensional geometries of the hyperspherical harmonics. We calculate the explicit expressions of the entropic moments and the Rényi entropies as well as the Fisher–Rényi, Fisher–Shannon and LMC complexities of the system. The explicit expression for the last two complexity measures is not yet possible, mainly because the logarithmic functional of the Shannon entropy has not yet been obtained up until now in a closed form.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Fig. 1
Fig. 2
Fig. 3
Fig. 4
Fig. 5
Fig. 6
Fig. 7
Fig. 8
Fig. 9

Similar content being viewed by others

References

  1. A. Galindo, P. Pascual, Quantum Mechanics (Springer, Berlin, 1990)

    Google Scholar 

  2. D.R. Herschbach, J. Avery, O. Goscinski, Dimensional Scaling in Chemical Physics (Kluwer, Dordrecht, 1993)

    Book  Google Scholar 

  3. P.A. Bouvrie, J.C. Angulo, J.S. Dehesa, Phys. A 390, 2215 (2011)

    Article  CAS  Google Scholar 

  4. J.S. Dehesa, S. López-Rosa, A. Martínez-Finkelshtein, R.J. Yáñez, Int. J. Quantum Chem. 109, 1529 (2010)

    Google Scholar 

  5. J.S. Dehesa, W. Van Assche, R.J. Yáñez, Phys. Rev. A 50, 3065 (1994)

    Article  Google Scholar 

  6. J.S. Dehesa, R.J. Yáñez, A.I. Aptekarev, V. Buyarov, J. Math. Phys. 39, 3050 (1998)

    Article  Google Scholar 

  7. S. López-Rosa, J. Montero, P. Sánchez-Moreno, J. Venegas, J. Dehesa, J. Math. Chem. 49, 971 (2011)

    Article  Google Scholar 

  8. J.S. Dehesa, S. López-Rosa, D. Manzano, Entropy and complexity analyses of D-dimensional quantum systems, in Statistical Complexity: Applications in Electronic Structure, ed. by K.D. Sen (Springer, Berlin, 2011)

    Google Scholar 

  9. J.S. Dehesa, A. Martínez-Finkelshtein, J. Sánchez-Ruiz, J. Comput. Appl. Math. 133, 23 (2001)

    Article  Google Scholar 

  10. S. Curilef, C. Tsallis, Phys. A 215, 542 (1995)

    Article  Google Scholar 

  11. C. Rist, A. Faure, J. Math. Chem. 50, 588 (2012)

    Article  CAS  Google Scholar 

  12. M. Gartner, J.J. Omiste, P. Schmelcher, R. González-Férez, Mol. Phys. 111, 1865 (2013)

    Article  Google Scholar 

  13. F. Dai, Y. Xu, Approximation Theory and Harmonic Analysis on Spheres and Balls (Springer, Berlin, 2013)

    Book  Google Scholar 

  14. C. Müller, Analysis of Spherical Harmonics in Euclidean Space (Springer, Berlin, 1997)

    Google Scholar 

  15. K. Atkinson, W. Han, Lecture Notes in Mathematics, vol. 124 (Springer, Berlin, 2012)

    Google Scholar 

  16. J. Avery, Hyperspherical Harmonics: Applications in Quantum Theory (Kluwer, Dordrecht, 1989)

    Book  Google Scholar 

  17. J. Avery, Hyperspherical Harmonics and Generalized Sturmians (Kluwer, Dordrecht, 2000)

    Google Scholar 

  18. E. Kyriakopoulos, Phys. Rev. 174, 1846 (1968)

    Article  Google Scholar 

  19. E.M. Stein, G. Weiss, Fourier Analysis in Eucledian Spaces (Princeton University Press, Princeton, 1971)

    Google Scholar 

  20. V. Aquilanti, S. Cavalli, G. Grossi, J. Chem. Phys. 85, 1362 (1986)

    Article  CAS  Google Scholar 

  21. A.F. Nikiforov, S.K. Suslov, V.B. Uvarov, Classical Orthogonal Polynomials of a Discrete Variable (Springer, Berlin, 1991)

    Book  Google Scholar 

  22. J. Avery, J. Phys. Chem. 97, 2406 (1993)

    Article  CAS  Google Scholar 

  23. Z.Y. Wen, J. Avery, J. Math. Phys. 26, 396 (1985)

    Article  Google Scholar 

  24. J. Avery, J. Math. Chem. 24, 169 (1998)

    Article  CAS  Google Scholar 

  25. J.S. Dehesa, S. López-Rosa, R.J. Yáñez, J. Math. Phys. 48, 043503 (2007)

    Article  Google Scholar 

  26. J. Uffink, Measures of Uncertainty and the Uncertainty Principle (PhD Thesis, University of Utrecht, 1990), see also references herein

  27. R.G. Parr, W. Yang, Density Functional Theory of Atoms and Molecules (Oxford University Press, Oxford, 1989)

    Google Scholar 

  28. S. Liu, R.G. Parr, Phys. Rev. A 53, 2211 (1996)

    Article  CAS  Google Scholar 

  29. S. Liu, R.G. Parr, Phys. A 55, 1792 (1997)

    CAS  Google Scholar 

  30. A. Nagy, S. Liu, R.G. Parr, Phys. Rev. A 59, 3349 (1999)

    Article  CAS  Google Scholar 

  31. J.C. Angulo, E. Romera, J.S. Dehesa, J. Math. Phys. 41, 7906 (2000)

    Article  CAS  Google Scholar 

  32. M.B. Pintarelli, F. Vericat, Phys. A 324, 568 (2003)

    Article  Google Scholar 

  33. E. Romera, J.C. Angulo, J.S. Dehesa, J. Math. Phys. 42, 2309 (2001)

    Article  Google Scholar 

  34. N. Leonenko, L. Pronzato, V. Savani, Ann. Stat. 40, 2153 (2008)

    Article  Google Scholar 

  35. H. Dette, V.B. Melas, A. Pepelyshev, Ann. Stat. 33, 2758 (2005)

    Article  Google Scholar 

  36. A. Rényi, Probability Theory (Akademi Kiado, Budapest, 1970)

    Google Scholar 

  37. C. Tsallis, J. Stat. Phys. 52, 479 (1998)

    Article  Google Scholar 

  38. R.A. Fisher, Proc. Camb. Philos. Soc. 22, 700 (1925)

    Article  Google Scholar 

  39. B.R. Frieden, Science from Fisher Information (Cambridge University Press, Cambridge, 2004)

    Book  Google Scholar 

  40. S.B. Sears, R.G. Parr, U. Dinur, Isr. J. Chem. 19, 165 (1980)

    Article  CAS  Google Scholar 

  41. E. Romera, A. Nagy, Phys. Lett. A 372, 6823 (2008)

    Article  CAS  Google Scholar 

  42. R.G. Catalan, J. Garay, R. López-Ruiz, Phys. Rev. E 66, 011102 (2002)

    Article  Google Scholar 

  43. R.L. Ruíz, Biophys. Chem. 115, 215 (2005)

    Article  Google Scholar 

  44. E. Romera, P. Sánchez-Moreno, J.S. Dehesa, J. Math. Phys. 47, 103504 (2006)

    Article  Google Scholar 

  45. H.M. Srivastava, Astrophys. Space Sci. 150, 251 (1988)

    Article  Google Scholar 

  46. R.O. Esquivel, J.C. Angulo, J. Antolín, J.S. Dehesa, S. López-Rosa, N. Flores-Gallegos, Phys. Chem. Chem. Phys. 12, 7108 (2010)

    Article  CAS  Google Scholar 

Download references

Acknowledgments

This work has been partially funded by the Junta-de-Andaluca Grants FQM-207, FQM-7276 and FQM-4643, as well as the MICINN Grant FIS2011-24540

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to P. Sánchez-Moreno.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Dehesa, J.S., Guerrero, A. & Sánchez-Moreno, P. Entropy and complexity analysis of the \(D\)-dimensional rigid rotator and hyperspherical harmonics. J Math Chem 53, 573–589 (2015). https://doi.org/10.1007/s10910-014-0435-9

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s10910-014-0435-9

Keywords

Navigation