Abstract
Pairwise and higher-order statistical correlations are examined in excited states of quantum oscillator systems, in position, and in momentum space. Measures from information theory, and those based on higher-order moments of the distribution, are used to quantify the correlations. Transition points are observed in the pairwise measures as the intensity of the interaction potential is varied. The presence of these points in a particular space, is governed by the symmetry of the wave function, and the attractive or repulsive nature of the interaction potentials. Crossover points in the higher-order measures are also present, where the interaction information transits from positive to negative values as the intensity of the interaction potential increases. The interpretation is that the dominance of synergic interactions depends on the intensity of the potential. The appearance of these crossover points in a particular representation is determined by the nature of the interaction potential, and not by the symmetry of the wave function. The magnitudes of the interaction potentials at these transition and crossover points, in each space, are shown to be a consequence of a relation which establishes a functional equivalence between the wave functions in each representation. Differences in the correlation characteristics of excited and ground states are discussed.
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S. Panzeri, S.R. Schultz, A. Treves, E.T. Rolls, Correlations and the encoding of information in the nervous system. Proc. R. Soc. Lond. B 266, 1001–1012 (1999). https://doi.org/10.1098/rspb.1999.0736
E. Schneidman, W. Bialek, M.J. Berry, Synergy, redundancy, and independence in population codes. J. Neurosci. 23(37), 11539–11553 (2003). https://doi.org/10.1523/JNEUROSCI.23-37-11539.2003
P.E. Latham, S. Nirenberg, Synergy, redundancy, and independence in population codes, revisited. J. Neurosci. 25(21), 5195–5206 (2005). https://doi.org/10.1523/JNEUROSCI.5319-04.2005
B.J. Killian, J.Y. Kravitz, M.K. Gibson, Extraction of configurational entropy from molecular simulations via an expansion approximation. J. Chem. Phys. 127(2), 024107 (2007). https://doi.org/10.1063/1.2746329
M. Beraha, A. B. Metelli, M. Papini, A. Tirinzoni, and M. Restelli. Feature selection via Mutual Information: New theoretical insights, in 2019 International Joint Conference on Neural Networks (IJCNN), IEEE, 2019. https://doi.org/10.1109/IJCNN.2019.8852410
E.P. Wigner, On the quantum correction for thermodynamic equilibrium. Phys. Rev. 40, 749–759 (1932). https://doi.org/10.1007/978-3-642-59033-7_9
W. Kutzelnigg, G. del Re, G. Bertier, Correlation coefficients for electronic wave functions. Phys. Rev 172, 49–59 (1968). https://doi.org/10.1103/PhysRev.172.49
A.J. Thakkar, V.H. Smith Jr., Statistical electron correlation coefficients for the five lowest states of the heliumlike ions. Phys. Rev. A 23, 473 (1981). https://doi.org/10.1103/PhysRevA.23.473
P.-O. Löwdin, Quantum theory of many-particle systems. III. extension of the Hartree–Fock scheme to include degenerate systems and correlation effects. Phys. Rev. 97, 1509 (1955). https://doi.org/10.1103/PhysRev.97.1509
C.E. Shannon, A mathematical theory of communication. Bell Syst. Tech. J. 27(3), 379–423 (1948). https://doi.org/10.1002/j.1538-7305.1948.tb01338.x
T.M. Cover, J.A. Thomas, Elements of Information Theory (Wiley, New York, 1991)
S.R. Gadre, S.B. Sears, S.J. Chakravorty, R.D. Bendale, Some novel characteristics of atomic information entropies. Phys. Rev. A 32(5), 2602–2606 (1985). https://doi.org/10.1103/PhysRevA.32.2602
A. Grassi, G.M. Lombardo, N.H. March, R. Pucci, 1/Z expansion, correlation energy, and Shannon entropy of heavy atoms in nonrelativistic limit. Int. J. Quantum Chem. 69(6), 721–726 (1998). https://doi.org/10.1002/(SICI)1097-461X(1998)69:6<721::AID-QUA4>3.0.CO;2-X
P. Fuentealba, J. Melin, Atomic spin-density polarization index and atomic spin-density information entropy distance. Int. J. Quantum Chem. 90, 334 (2002). https://doi.org/10.1002/qua.994
Q. Shi, S. Kais, Finite size scaling for the atomic Shannon-information entropy. J. Chem. Phys. 121(12), 5611–5617 (2004). https://doi.org/10.1063/1.1785773
R. Atre, A. Kumar, N. Kumar, P.K. Panigrahi, Quantum-information entropies of the eigenstates and the coherent state of the Pöschl–Teller potential. Phys. Rev. A 69, 052107 (2004). https://doi.org/10.1103/PhysRevA.69.052107
K.D. Sen, Characteristic features of Shannon information entropy of confined atoms. J. Chem. Phys. 123, 074110 (2005)
KCh. Chatzisavvas, Ch.C. Moustakidis, C.P. Panos, Information entropy, information distances, and complexity in atoms. J. Chem. Phys. 123, 174111 (2005). https://doi.org/10.1063/1.2121610
Z. Huang, S. Kais, Entanglement as measure of electron-electron correlation in quantum chemistry calculations. Chem. Phys. Lett. 413, 1 (2005). https://doi.org/10.1016/j.cplett.2005.07.045
A.V. Luzanov, O.V. Prezhdo, High-order entropy measures and spin-free quantum entanglement for molecular problems. Mol. Phys. 105, 2879 (2007). https://doi.org/10.1080/00268970701725039
L. M. Ghiringhelli, I. P. Hamilton, L. Delle Site, Interacting electrons, spin statistics, and information theory. J. Chem. Phys. 132(014106)(2010). https://doi.org/10.1063/1.3280953
K. Pineda-Urbina, R.D. Guerrero, A. Reyes, Z. Gómez-Sandoval, R. Flores-Moreno, Shape entropy’s response to molecular ionization. J. Mol. Model. 19, 1677 (2013). https://doi.org/10.1007/s00894-012-1725-4
Á. Nagy, Shannon entropy density as a descriptor of Coulomb systems. Chem. Phys. Lett. 556(29), 355–358 (2013). https://doi.org/10.1016/j.cplett.2012.11.065
G.H. Sun, S.H. Dong, N. Saad, Quantum information entropies for an asymmetric trigonometric Rosen-Morse potential. Ann. Phys. 525(12), 934–943 (2013). https://doi.org/10.1002/andp.201300089
A.J. Fotue, S.C. Kenfack, M. Tiotsup, N. Issofa, A.V. Wirngo, M.P. Tabue Djemmo, H. Fotsin, L.C. Fai, Shannon entropy and decoherence of bound magnetopolaron in a modified cylindrical quantum dot. Mod. Phys. Lett. B 2929, 1550241 (2015). https://doi.org/10.1142/S0217984915502413
C.H. Lin, Y.K. Ho, Shannon information entropy in position space for two-electron atomic systems. Chem. Phys. Lett. 633(11–12), 261–264 (2015). https://doi.org/10.1016/j.cplett.2015.05.029
L. Delle Site, Shannon entropy and many-electron correlations: Theoretical concepts, numerical results, and Collins conjecture. Int. J. Quantum Chem. 115(19), 1396–1404 (2015). https://doi.org/10.1002/qua.24823
N. Mukerjee, A.K. Roy, Quantum confinement in an asymmetric double-well potential through energy analysis and information entropic measure. Ann. Phys. 528(5), 412–433 (2016). https://doi.org/10.1002/andp.201500301
M. Ghafourian, H. Hassanabadi, Shannon information entropies for the three-dimensional Klein-Gordon problem with the Poschl-Teller potential. J. Korean Phys. Soc. 68(11), 1267–1271 (2016). https://doi.org/10.3938/jkps.68.1267
S.A. Najafizade, H. Hassanabadi, S. Zarrinkamar, Nonrelativistic Shannon information entropy for Kratzer potential. Chin. Phys. B 25(4), 040301 (2016). https://doi.org/10.1088/1674-1056/25/4/040301
A. Ghosal, N. Mukherjee, A.K. Roy, Information entropic measures of a quantum harmonic oscillator in symmetric and asymmetric confinement within an impenetrable box. Ann. Phys. (Berlin) 528, 796 (2016). https://doi.org/10.1002/andp.201600121
O. Olendski, Theory of the Robin quantum wall in a linear potential. I. Energy spectrum, polarization and quantum-information measures. Ann. Phys. (Berlin) 528(865)(2016). https://doi.org/10.1002/andp.201600080
A. Boumali, M. Labidi, Shannon entropy and Fisher information of the one-dimensional Klein-Gordon oscillator with energy-dependent potential. Mod. Phys. Lett. A 33(06), 1850033 (2018). https://doi.org/10.1142/S0217732318500335
W.S. Nascimento, F.V. Prudente, Shannon entropy: a study of confined hydrogenic-like atoms. Chem. Phys. Lett. 691, 401–407 (2018). https://doi.org/10.1016/j.cplett.2017.11.048
C.A. Onate, M.C. Onyeaju, E.E. Ituen, A.N. Ikot, O. Ebomwonyi, J.O. Okoro, K.O. Dopamu, Eigensolutions, Shannon entropy and information energy for modified Tietz-Hua potential. Indian J. Phys. 92(4), 0974–9845 (2018). https://doi.org/10.1007/s12648-017-1124-x
N. Flores-Gallegos, On the calculations of Shannon’s entropy in atoms and molecules I: the continuous case in position and momentum spaces. Chem. Phys. Lett. 720, 1–6 (2019). https://doi.org/10.1016/j.cplett.2019.01.049
S. López-Rosa, A.L. Martín, J. Antolín, J.C. Angulo, Electron-pair entropic and complexity measures in atomic systems. Int. J. Quantum Chem. 119(7), e25861 (2019). https://doi.org/10.1002/qua.25861
M.A. Martínez-Sánchez, R. Vargas, J. Garza, Shannon entropy for the Hydrogen atom confined by four different potentials. Quantum Rep. 1, 208–218 (2019). https://doi.org/10.3390/quantum1020018
I.V. Toranzo, D. Puertas-Centeno, N. Sobrino, J.S. Dehesa, Analytical Shannon information entropies for all discrete multidimensional hydrogenic states. Int. J. Quantum Chem. 120(2), e26077 (2020). https://doi.org/10.1002/qua.26077
E.V. Ludeña, F.J. Torres, M. Becerra, L. Rincón, S. Liu, Shannon entropy and Fisher information from a non-Born-Oppenheimer perspective. J. Phys. Chem. A 124(2), 386–394 (2020). https://doi.org/10.1021/acs.jpca.9b10503
I. Nasser, A. Abdel-Hady, Fisher information and Shannon entropy calculations for two-electron systems. Can. J. Phys. 98(8), 784–789 (2020). https://doi.org/10.1139/cjp-2019-0391
S. Subhasish, J. Jobin, Shannon entropy as a predictor of avoided crossing in confined atoms. Int. J. Quantum Chem. 120(22), e26077 (2020). https://doi.org/10.1002/qua.26374
C.O. Edet, A.N. Ikot, Shannon information entropy in the presence of magnetic and Aharanov–Bohm (AB) fields. Eur. Phys. J. Plus 136(4), 2190–5444 (2021). https://doi.org/10.1140/epjp/s13360-021-01438-4
E. Cruz, N. Aquino, V. Prasad, Localization-delocalization of a particle in a quantum corral in presence of a constant magnetic field. Eur. Phys. J. D 75(3), 1434–6079 (2021). https://doi.org/10.1140/epjd/s10053-021-00119-2
W. Beckner, Inequalities in Fourier analysis. Ann. Math. 102(1), 159–182 (1975). https://doi.org/10.2307/1970980
I. Bialynicki-Birula, J. Mycielski, Uncertainty relations for information entropy in wave mechanics. J. Commun. Math. Phys. 44(2), 129–132 (1975). https://doi.org/10.1007/BF01608825
A. Hertz, N.J. Cerf, Continuous-variable entropic uncertainty relations. J. Phys. A Math. Theor. 52, 173001 (2019). https://doi.org/10.1088/1751-8121/ab03f3
A. Meucci, Risk and Asset Allocation (Springer, Berlin, 2005)
S. Watanabe, Information theoretical analysis of multivariate correlation. IBM J. Res. Dev. 4(1), 66–82 (1960). https://doi.org/10.1147/rd.41.0066
T.S. Han, Multiple mutual informations and multiple interactions in frequency data. Inf. Control 46(1), 26–45 (1980). https://doi.org/10.1016/S0019-9958(80)90478-7
S.J.C. Salazar, H.G. Laguna, R.P. Sagar, Statistical correlation measures from higher-order moments in quantum oscillator systems. Adv. Theory Simul. (2021). https://doi.org/10.1002/adts.202000322
W.J. McGill, Multivariate information transmission. Psychometrika 19(2), 97–116 (1954). https://doi.org/10.1007/BF02289159
N.J. Cerf, C. Adami, Entropic Bell inequalities. Phys. Rev. A 55(5), 3371–3374 (1997). https://doi.org/10.1103/PhysRevA.55.3371
H. Matsuda, Physical nature of higher-order mutual information: intrinsic correlations and frustration. Phys. Rev. E 62(3), 3096–3102 (2000). https://doi.org/10.1103/PhysRevE.62.3096
H. Matsuda, Information theoretic characterization of frustrated systems. Physica A 294(1–2), 180–190 (2001). https://doi.org/10.1016/S0378-4371(01)00039-5
T. Kolda, B. Bader, Tensor decompositions and applications. SIAM Rev. 3(51), 455–500 (2009). https://doi.org/10.1137/07070111X
E. Jondeau, E. Jurczenko, M. Rockinger, Moment component analysis: an illustration with international stock markets. J. Bus. Econ. Stat. 36(4), 576–598 (2018). https://doi.org/10.1080/07350015.2016.1216851
E. Jondeau, M. Rockinger, Optimal portfolio allocation under higher moments. Eur. Financ. Manag. 12(1), 29–55 (2006). https://doi.org/10.1111/j.1354-7798.2006.00309.x
G.M. Athayde, R.G. Flôres Jr., Finding a maximum skewness portfolio. A general solution to three-moments portfolio choice. J. Econ. Dyn. Control 28(7), 1335–1352 (2004). https://doi.org/10.1016/S0165-1889(02)00084-2
H.T. Peng, Y.K. Ho, Statistical correlations of the N-particle Moshinsky model. Entropy 17(4), 012502 (2015). https://doi.org/10.3390/e17041882
P.A. Bouvrie, A.P. Majtey, A.R. Plastino, M.P. Sánchez, J.S. Dehesa, Quantum entanglement in exactly soluble atomic models: the Moshinsky model with three electrons, and with two electrons in a uniform magnetic field. Eur. Phys. J. D 66, 15 (2012). https://doi.org/10.1140/epjd/e2011-20417-4
S.J.C. Salazar, H.G. Laguna, R.P. Sagar, Higher-order information measures from cumulative densities in continuous variable quantum systems. Quantum Rep. 2(4), 560–578 (2020). https://doi.org/10.3390/quantum2040039
S.J.C. Salazar, H.G. Laguna, R.P. Sagar, Higher-order statistical correlations in three-particle quantum systems with harmonic interactions. Phys. Rev. A 101, 042105 (2020). https://doi.org/10.1103/PhysRevA.101.042105
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S.J.C.S. would like to thank CONACyT for a graduate fellowship.
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Appendix
Appendix
The similarity in behaviour between mutual information and cokurtoses measures at the two and three variable levels has been reported for the \(\left| 000\right\rangle \) symmetric and \(\left| 001\right\rangle \) antisymmetric ground states in position space [51]. Mutual information is taken from information theory while the cokurtosis comes from a moments-based approach. Although distinct, both are thought to measure the nonlinear correlations. The question remains, if the similarity that was observed in position space is carried through to momentum space. Thus, we illustrate the behaviours of these measures in momentum space for the ground states. This information supplements that presented for the excited states in the body of this work.
Figure 12 presents a comparison of the pairwise measures. First, the similarity between the \(I_p\) and \(Cok(p_1,p_2)\) measures is striking in all cases. The minimum that is present in \(I_p\) in the \(\left| 001\right\rangle \) antisymmetric state with repulsive potential, is also present in the \(Cok(p_1,p_2)\) measure. In this state, \(\tau _p\) is negative-valued at smaller \(\lambda _-\), and transits to positive values as \(\lambda _-\) increases. This transition point is also detected by the minima in \(I_p\) and in \(Cok(p_1,p_2)\), which occur in the same region. The position of these minima are shifted to smaller values as compared to the transition point.
Figure 13 presents the comparison of triple-wise and higher-order measures. All \(I_3^p\) measures are consistent in behaviour with \(Cok(p_1,p_2,p_3)\), except for the antisymmetric \(\left| 001\right\rangle \) state with attractive potential, whose cokurtosis displays a maximum. Note that the presence of the minimum in \(I_3^p\) for the \(\left| 001\right\rangle \) state with repulsive potential is also captured by a corresponding minimum in \(Cok(p_1,p_2,p_3)\) in the same region. There is also a striking resemblance between the higher-order interaction information, \(I_p^3\), and the \(\eta _p\) measure based on the cokurtoses. Note that \(\eta _p\) captures the positive to negative transition in \(I_p^3\), at larger \(\lambda _-\), in the \(\left| 001\right\rangle \) state with repulsive potential. We emphasize that the values of \(\lambda _-\) at this transition is distinct for each measure.
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Salazar, S.J.C., Laguna, H.G. & Sagar, R.P. Pairwise and higher-order statistical correlations in excited states of quantum oscillator systems. Eur. Phys. J. Plus 137, 19 (2022). https://doi.org/10.1140/epjp/s13360-021-02215-z
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DOI: https://doi.org/10.1140/epjp/s13360-021-02215-z