Recurrence and differential relations for spherical spinors

We present a comprehensive table of recurrence and differential relations obeyed by spin one-half spherical spinors (spinor spherical harmonics) $\Omega_{\kappa\mu}(\mathbf{n})$ used in relativistic atomic, molecular, and solid state physics, as well as in relativistic quantum chemistry. First, we list finite expansions in the spherical spinor basis of the expressions $\mathbf{A}\cdot\mathbf{B}\,\Omega_{\kappa\mu}(\mathbf{n})$ and {$\mathbf{A}\cdot(\mathbf{B}\times\mathbf{C})\, \Omega_{\kappa\mu}(\mathbf{n})$}, where $\mathbf{A}$, $\mathbf{B}$, and $\mathbf{C}$ are either of the following vectors or vector operators: $\mathbf{n}=\mathbf{r}/r$ (the radial unit vector), $\mathbf{e}_{0}$, $\mathbf{e}_{\pm1}$ (the spherical, or cyclic, versors), $\boldsymbol{\sigma}$ (the $2\times2$ Pauli matrix vector), $\hat{\mathbf{L}}=-i\mathbf{r}\times\boldsymbol{\nabla}I$ (the dimensionless orbital angular momentum operator; $I$ is the $2\times2$ unit matrix), $\hat{\mathbf{J}}=\hat{\mathbf{L}}+1/2\boldsymbol{\sigma}$ (the dimensionless total angular momentum operator). Then, we list finite expansions in the spherical spinor basis of the expressions $\mathbf{A}\cdot\mathbf{B}\,F(r)\Omega_{\kappa\mu}(\mathbf{n})$ and $\mathbf{A}\cdot(\mathbf{B}\times\mathbf{C})\, F(r)\Omega_{\kappa\mu}(\mathbf{n})$, where at least one of the objects $\mathbf{A}$, $\mathbf{B}$, $\mathbf{C}$ is the nabla operator $\boldsymbol{\nabla}$, while the remaining ones are chosen from the set $\mathbf{n}$, $\mathbf{e}_{0}$, $\mathbf{e}_{\pm1}$, $\boldsymbol{\sigma}$, $\hat{\mathbf{L}}$, $\hat{\mathbf{J}}$.Comment: LaTeX, 12 page

Towards uniqueness of degenerate axially symmetric Killing horizon

We examine the linearized equations around extremal Kerr horizon and give some arguments towards stability of the horizon with respect to generic (non-symmetric) linear perturbation of near horizon geometry.Comment: 17 page

On the derivative of the associated Legendre function of the first kind of integer order with respect to its degree

In our recent works [R. Szmytkowski, J. Phys. A 39 (2006) 15147; corrigendum: 40 (2007) 7819; addendum: 40 (2007) 14887], we have investigated the derivative of the Legendre function of the first kind, $P_{\nu}(z)$, with respect to its degree $\nu$. In the present work, we extend these studies and construct several representations of the derivative of the associated Legendre function of the first kind, $P_{\nu}^{\pm m}(z)$, with respect to the degree $\nu$, for $m\in\mathbb{N}$. At first, we establish several contour-integral representations of $\partial P_{\nu}^{\pm m}(z)/\partial\nu$. They are then used to derive Rodrigues-type formulas for $[\partial P_{\nu}^{\pm m}(z)/\partial\nu]_{\nu=n}$ with $n\in\mathbb{N}$. Next, some closed-form expressions for $[\partial P_{\nu}^{\pm m}(z)/\partial\nu]_{\nu=n}$ are obtained. These results are applied to find several representations, both explicit and of the Rodrigues type, for the associated Legendre function of the second kind of integer degree and order, $Q_{n}^{\pm m}(z)$; the explicit representations are suitable for use for numerical purposes in various regions of the complex $z$-plane. Finally, the derivatives $[\partial^{2}P_{\nu}^{m}(z)/\partial\nu^{2}]_{\nu=n}$, $[\partial Q_{\nu}^{m}(z)/\partial\nu]_{\nu=n}$ and $[\partial Q_{\nu}^{m}(z)/\partial\nu]_{\nu=-n-1}$, all with $m>n$, are evaluated in terms of $[\partial P_{\nu}^{-m}(\pm z)/\partial\nu]_{\nu=n}$.Comment: LateX, 40 pages, 1 figure, extensive referencin

On Eisenbud's and Wigner's R-matrix: A general approach

The main objective of this paper is to give a rigorous treatment of Wigner's and Eisenbud's $R$-matrix method for scattering matrices of scattering systems consisting of two selfadjoint extensions of the same symmetric operator with finite deficiency indices. In the framework of boundary triplets and associated Weyl functions an abstract generalization of the $R$-matrix method is developed and the results are applied to Schr\"odinger operators on the real axis

Relativistic J-matrix method

The relativistic version of the J-matrix method for a scattering problem on the potential vanishing faster than the Coulomb one is formulated. As in the non-relativistic case it leads to a finite algebraic eigenvalue problem. The derived expression for the tangent of phase shift is simply related to the non-relativistic case formula and gives the latter as a limit case. It is due to the fact that the used basis set satisfies the ``kinetic balance condition''.Comment: 21 pages, RevTeX, accepted for publication in Phys. Rev.

Magnetic field-induced electric quadrupole moment in the ground state of the relativistic hydrogen-like atom: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function

We consider a Dirac one-electron atom placed in a weak, static, uniform magnetic field. We show that, to the first order in the strength $B$ of the perturbing field, the only electric multipole moment induced by the field in the ground state of the atom is the quadrupole one. Using the Sturmian expansion of the generalized Dirac-Coulomb Green function [R. Szmytkowski, J. Phys. B 30 (1997) 825; erratum 30 (1997) 2747], we derive a closed-form expression for the induced electric quadrupole moment. The result contains the generalized hypergeometric function $_{3}F_{2}$ of the unit argument. Earlier calculations by other authors, based on the non-relativistic model of the atom, predicted in the low-field region the quadratic dependence of the induced electric quadrupole moment on $B$.Comment: LaTeX2e, 9 page

The Hilbert-Schmidt Theorem Formulation of the R-Matrix Theory

Using the Hilbert-Schmidt theorem, we reformulate the R-matrix theory in terms of a uniformly and absolutely convergent expansion. Term by term differentiation is possible with this expansion in the neighborhood of the surface. Methods for improving the convergence are discussed when the R-function series is truncated for practical applications.Comment: 16 pages, Late

Convergence of expansions in Schr\"odinger and Dirac eigenfunctions, with an application to the R-matrix theory

Expansion of a wave function in a basis of eigenfunctions of a differential eigenvalue problem lies at the heart of the R-matrix methods for both the Schr\"odinger and Dirac particles. A central issue that should be carefully analyzed when functional series are applied is their convergence. In the present paper, we study the properties of the eigenfunction expansions appearing in nonrelativistic and relativistic $R$-matrix theories. In particular, we confirm the findings of Rosenthal [J. Phys. G: Nucl. Phys. 13, 491 (1987)] and Szmytkowski and Hinze [J. Phys. B: At. Mol. Opt. Phys. 29, 761 (1996); J. Phys. A: Math. Gen. 29, 6125 (1996)] that in the most popular formulation of the R-matrix theory for Dirac particles, the functional series fails to converge to a claimed limit.Comment: Revised version, accepted for publication in Journal of Mathematical Physics, 21 pages, 1 figur

Relativistic coupled-cluster single-double calculations of positron-atom bound states

Relativistic coupled-cluster single-double approximation is used to calculate positron-atom bound states. The method is tested on closed-shell atoms such as Be, Mg, Ca, Zn, Cd, and Hg where a number of accurate calculations is available. It is then used to calculate positron binding energies for a range of open-shell transition metal atoms from Sc to Cu, from Y to Pd, and from Lu to Pt. These systems possess Feshbach resonances, which can be used to search for positron-atom binding experimentally through resonant annihilation or scattering.Comment: submitted to Phys. Rev.

Elastic positron-cadmium scattering at low energies

The elastic and annihilation cross sections for positron-cadmium scattering are reported up to the positronium-formation threshold (at 2.2 eV). The low-energy phase shifts for the elastic scattering of positrons from cadmium were derived from the bound and pseudostate energies of a very large basis configuration-interaction calculation of the e+-Cd system. The s-wave binding energy is estimated to be 126±42 meV, with a scattering length of Ascat=(14.2±2.1)a0, while the threshold annihilation parameter, Zeff, was 93.9±26.5. The p-wave phase shift exhibits a weak shape resonance that results in a peak Zeff of 91±17 at a collision energy of about 490±50 meV