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Jacob Katriel

Publications and source records attributed to Jacob Katriel.

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Relativistic effects on information measures for hydrogen-like atoms

Position and momentum information measures are evaluated for the ground state of the \emph{relativistic} hydrogen-like atoms. Consequences of the fact that the radial momentum operator is not self-adjoint are explicitly studied, exhibiting fundamental shortcomings of the conventional uncertainty measures in terms of the radial position and momentum variances. The Shannon and Rényi entropies, the Fisher information measure, as well as several related information measures, are considered as viable alternatives. Detailed results on the onset of relativistic effects for low nuclear charges, and on the extreme relativistic limit, are presented. The relativistic position density decays exponentially at large $r$, but is singular at the origin. Correspondingly, the momentum density decays as an inverse power of $p$. Both features yield divergent Rényi entropies away from a finite vicinity of the Shannon entropy. While the position space information measures can be evaluated analytically for both the nonrelativistic and the relativistic hydrogen atom, this is not the case for the relativistic momentum space. Some of the results allow interesting insight into the significance of recently evaluated Dirac-Fock vs. Hartree-Fock complexity measures for many-electron neutral atoms.

physics.atom-ph

Non-universality of commonly used correlation-energy density functionals

The correlation energies of the helium isoelectronic sequence and of Hooke's atom isoelectronic sequence have been evaluated using an assortment of local, gradient and meta-gradient density functionals. The results are compared with the exact correlation energies, showing that while several of the more recent density functionals reproduce the exact correlation energies of the helium isoelectronic sequence rather closely, none is satisfactory for Hooke's atom isoelectronic sequence. It is argued that the uniformly acceptable results for the helium sequence can be explained through simple scaling arguments that do not hold for Hooke's atom sequence, so that the latter system provides a more sensitive testing ground for approximate density functionals. This state of affairs calls for further effort towards formulating correlation-energy density functionals that would be truly universal at least for spherically-symmetric two-fermion systems.

physics.chem-ph

On an Alternative Parametrization for the Theory of Complex Spectra

The purpose of this letter is threefold : (i) to derive, in the framework of a new parametrization, some compact formulas of energy averages for the electrostatic interaction within an (nl)N configuration, (ii) to describe a new generating function for obtaining the number of states with a given spin angular momentum in an (nl)N configuration, and (iii) to report some apparently new sum rules, actually a by-product of (i), for SU(2) > U(1) coupling coefficients.

quant-ph

Normal Ordering for Deformed Boson Operators and Operator-valued Deformed Stirling Numbers

The normal ordering formulae for powers of the boson number operator $\hat{n}$ are extended to deformed bosons. It is found that for the `M-type' deformed bosons, which satisfy $a a^{\dagger} - q a^{\dagger} a = 1$, the extension involves a set of deformed Stirling numbers which replace the Stirling numbers occurring in the conventional case. On the other hand, the deformed Stirling numbers which have to be introduced in the case of the `P-type' deformed bosons, which satisfy $a a^{\dagger} - q a^{\dagger} a = q^{-\hat{n}}$, are found to depend on the operator $\hat{n}$. This distinction between the two types of deformed bosons is in harmony with earlier observations made in the context of a study of the extended Campbell-Baker-Hausdorff formula.

math-ph

Representation-theoretic derivation of the Temperley-Lieb-Martin algebras

Explicit expressions for the Temperley-Lieb-Martin algebras, i.e., the quotients of the Hecke algebra that admit only representations corresponding to Young diagrams with a given maximum number of columns (or rows), are obtained, making explicit use of the Hecke algebra representation theory. Similar techniques are used to construct the algebras whose representations do not contain rectangular subdiagrams of a given size.

hep-th