PERTURBATION THEORY FOR ILLUSTRATION PURPOSES

Perturbation theory applied to laguerre function

Majorana solutions to the two-electron problem

A review of the known different methods and results devised to study the two-electron atom problem, appeared in the early years of quantum mechanics, is given, with particular reference to the calculations of the ground state energy of helium. This is supplemented by several, unpublished results obtained around the same years by Ettore Majorana, which results did not convey in his published papers on the argument, and thus remained unknown until now. Particularly interesting, even for current research in atomic and nuclear physics, is a general variant of the variational method, developed by Majorana in order to take directly into account, already in the trial wavefunction, the action of the full Hamiltonian operator of a given quantum system. Moreover, notable calculations specialized to the study of the two-electron problem show the introduction of the remarkable concept of an effective nuclear charge different for the two electrons (thus generalizing previous known results), and an application of the perturbative method, where the atomic number Z was treated effectively as a continuous variable, contributions to the ground state energy of an atom with given Z coming also from any other Z. Instead, contributions relevant mainly for pedagogical reasons count simple broad range estimates of the helium ionization potential, obtained by suitable choices for the wavefunction, as well as a simple alternative to Hylleraas' method, which led Majorana to first order calculations comparable in accuracy with well-known order 11 results derived, in turn, by Hylleraas.Comment: amsart, 20 pages, no figure

Determination of a Wave Function Functional

In this paper we propose the idea of expanding the space of variations in standard variational calculations for the energy by considering the wave function $\psi$ to be a functional of a set of functions $\chi: \psi = \psi[\chi]$, rather than a function. In this manner a greater flexibility to the structure of the wave function is achieved. A constrained search in a subspace over all functions $\chi$ such that the wave function functional $\psi[\chi]$ satisfies a constraint such as normalization or the Fermi-Coulomb hole charge sum rule, or the requirement that it lead to a physical observable such as the density, diamagnetic susceptibility, etc. is then performed. A rigorous upper bound to the energy is subsequently obtained by variational minimization with respect to the parameters in the approximate wave function functional. Hence, the terminology, the constrained-search variational method. The \emph{rigorous} construction of such a constrained-search--variational wave function functional is demonstrated by example of the ground state of the Helium atom.Comment: 10 pages, 2 figures, changes made, references adde

Nonrelativistic ionization energy for the helium ground state

The helium ground state nonrelativistic energy with 24 significant digits is presented. The calculations are based on variational expansion with randomly chosen exponents. This data can be used as a benchmark for other approaches for many electron and/or three-body systems.Comment: 3 pages, 0 figure

Primordial helium recombination III: Thomson scattering, isotope shifts, and cumulative results

Upcoming precision measurements of the temperature anisotropy of the cosmic microwave background (CMB) at high multipoles will need to be complemented by a more complete understanding of recombination, which determines the damping of anisotropies on these scales. This is the third in a series of papers describing an accurate theory of HeI and HeII recombination. Here we describe the effect of Thomson scattering, the $^3$He isotope shift, the contribution of rare decays, collisional processes, and peculiar motion. These effects are found to be negligible: Thomson and $^3$He scattering modify the free electron fraction $x_e$ at the level of several $\times 10^{-4}$. The uncertainty in the $2^3P^o-1^1S$ rate is significant, and for conservative estimates gives uncertainties in $x_e$ of order $10^{-3}$. We describe several convergence tests for the atomic level code and its inputs, derive an overall $C_\ell$ error budget, and relate shifts in $x_e(z)$ to the changes in $C_\ell$, which are at the level of 0.5% at $\ell =3000$. Finally, we summarize the main corrections developed thus far. The remaining uncertainty from known effects is $\sim 0.3$ in $x_e$.Comment: 19 pages, 15 figures, to be submitted to PR

Dynamical stabilization of classical multi electron targets against autoionization

We demonstrate that a recently published quasiclassical M\oller type approach [Geyer and Rost 2002, J. Phys. B 35 1479] can be used to overcome the problem of autoionization, which arises in classical trajectory calculations for many electron targets. In this method the target is stabilized dynamically by a backward--forward propagation scheme. We illustrate this refocusing and present total cross sections for single and double ionization of helium by electron impact.Comment: LaTeX, 6 pages, 2 figures; submitted to J. Phys.

Electron impact double ionization of helium from classical trajectory calculations

With a recently proposed quasiclassical ansatz [Geyer and Rost, J. Phys. B 35 (2002) 1479] it is possible to perform classical trajectory ionization calculations on many electron targets. The autoionization of the target is prevented by a M\o{}ller type backward--forward propagation scheme and allows to consider all interactions between all particles without additional stabilization. The application of the quasiclassical ansatz for helium targets is explained and total and partially differential cross sections for electron impact double ionization are calculated. In the high energy regime the classical description fails to describe the dominant TS1 process, which leads to big deviations, whereas for low energies the total cross section is reproduced well. Differential cross sections calculated at 250 eV await their experimental confirmation.Comment: LaTeX, 22 pages, 10 figures, submitted to J. Phys.

Lowest Open Channels, Bound States, and Narrow Resonances of Dipositronium

The constraints imposed by symmetry on the open channels of dipositronium has been studied, and the symmetry-adapted lowest open channel of each quantum state has been identified. Based on this study, the existence of two more 0^+ bound states has been theoretically confirmed, and a 0^+ narrow resonance has been predicted. A variational calculation has been performed to evaluate the critical strength of the repulsive interaction . Two 0^- states are found to have their critical strengths very close to 1, they are considered as candidates of new narrow resonances or loosely bound states .Comment: 10 pages, 0 figure

Angular versus radial correlation effects on momentum distributions of light two-electron ions

We investigate different correlation mechanisms for two-electron systems and compare their respective effects on various electron distributions. The simplicity of the wave functions used allows for the derivation of closed-form analytical expressions for all electron distributions. Among other features, it is shown that angular and radial correlation mechanisms have opposite effects on Compton profiles at small momenta.Comment: 22 pages, 5 figures, 3 tabl

Electronic Structure of Lanthanum Hydrides with Switchable Optical Properties

Recent dramatic changes in the optical properties of LaH_{2+x} and YH_{2+x} films discovered by Huiberts et al. suggest their electronic structure is described best by a local model. Electron correlation is important in H^- -centers and in explaining the transparent insulating behavior of LaH_3. The metal-insulator transition at $x\sim 0.8$ takes place in a band of highly localized states centered on the $H$-vacancies in the LaH_3 structure.Comment: plain tex, 3 figure