Abstract
The systematics of perturbative semiclassical quantum defect expansions corresponding to a hydrogenic potential plus a perturbing term of the form -A/2rκ, \(\kappa \geqslant 2\), are studied as a function of expansion order N. Towards this task the expansions μ Nare first used as input for constructing associated N-dependent atomic RKR-QDT potential curves. Subsequently the coordinate Fisher information for the energy levels supported by those curves as well as its rate ε with respect to N is semiclassically computed. Then, the plot of relative quantum defect error between successive orders, δμ N+1,N, with respect to ε serves as convergence indicator for both approximate potentials and quantum defects. For a given κ and when the quantum defect expansion proves to be of limited accuracy the plot reveals an A- and N-dependent scatter of points and “saturation” (the relative error remains almost constant with respect to ε). More importantly, when ε is equal to or lower than the value of ε (N=1) for which πμ \(_{1}\leqslant 1/2\) the relative error exhibits a κ-, A- and N-independent power-law dependence, δμ N+1,N∝ ε m, clearly distinguishing the N=1 order (m=1/2) from all other N>1 orders (m=1). These power-laws may be employed for setting-up confidence level bounds on perturbative expansions.
Similar content being viewed by others
References
C. Jaffé, W.P. Reinhardt, J. Chem. Phys. 66, 1285 (1977)
G.H. Walker, Phys. Lett. A 74, 170 (1979)
H.P. Gervais, G. Berthier, J. Mol. Struct. Theochem 330, 49 (1995)
S.C. Lu, Y. Chen, F. Sun, B. Wang, Nuovo Cimento B 113, 375 (1998)
S.C. Lu, B. Wang, Nuovo Cimento B 114, 621 (1999)
H.S.W. Massey, C.B.O. Mohr, Proc. R. Soc. London, Ser. A 144, 188 (1934)
N.F. Mott, H.S.W. Massey, The Theory of Atomic Collisions(Clarendon, Oxford, 1965)
S. Cohen, P. Camus, J. Phys. B: At. Mol. Opt. Phys. 29, 4323 (1996)
K. Chadan, P.C. Sabatier, Inverse Problems in Quantum Scattering Theory (Springer, New York, 1977)
S. Cohen, M. Chrysos, J. Phys. B: At. Mol. Opt. Phys. 35, 847 (2002)
S. Cohen, S.I. Themelis, J. Phys. B: At. Mol. Opt. Phys. 38, 3705 (2005)
E. Romera, J.S. Dehesa, J. Chem. Phys. 120, 8906 (2004)
B.R. Frieden, Science from Fisher information (Cambridge University Press, Cambridge, 2004)
R. González-Férez, J.S. Dehesa, Eur. Phys. J. D 32, 39 (2005)
A. Stam, Inform. Control 2, 101 (1959)
I. Bialynicki-Birula, J. Mycielski, Commun. Math. Phys. 44, 129 (1975)
P. Sánchez-Moreno, R. González-Férez, J.S. Dehesa, New J. Phys. 8, 330 (2008)
S.H. Patil, K.D. Sen, Phys. Lett. A 362, 109 (2007)
J.S. Dehesa, A. Martínez-Finkelshtein, V.N. Sorokin, Phys. Rev. A 66, 062109 (2002)
M.W. Coffey, J. Phys. A: Math. Gen. 36, 7441 (2003)
S.H. Patil, K.D. Sen, Phys. Lett. A 370, 354 (2007)
J.C. Angulo, J. Antolin, K.D. Sen, Phys. Lett. A 372, 670 (2008)
E. Romera, P. Sánchez-Moreno, J.S. Dehesa, Chem. Phys. Lett. 414, 468 (2005)
S.R. Gadre, S.B. Sears, S.J. Chakravorty, R.D. Bendale, Phys. Rev. A 32, 2602 (1985)
L.G. D’yakov, P.M. Pankratov, J. Phys. B: At. Mol. Opt. Phys. 24, 2267 (1991)
I. Martín, G. Simons, J. Chem. Phys. 62, 4799 (1975)
J.M. Menéndez, I. Martín, A.M. Velasco, J. Chem. Phys. 119, 12926 (2003)
N.L. Manakov, S.I. Marmo, S.A. Sviridov, JETP 105, 696 (2007)
P. Camus, S. Cohen, Phys. Rev. A 51, 1985 (1995)
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Cohen, S. Systematics of perturbative semiclassical quantum defect expansions probed by RKR-QDTand a Fisher-information-based criterion. Eur. Phys. J. D 55, 67–74 (2009). https://doi.org/10.1140/epjd/e2009-00236-0
Received:
Published:
Issue Date:
DOI: https://doi.org/10.1140/epjd/e2009-00236-0