Macroion effective charge in complex plasmas with regard to microion correlations

In the present paper, features of high-charged macroions screening by microions are analysed in classical asymmetrically charged complex plasmas. We consider a two-component electroneutral system of classical macroions and oppositely charged microions in a spherically symmetrical electroneutral Wigner–Seitz cell with a central macroion in its centre. The present paper is devoted to a problem of a relation between the effective macroion charge and an initial one with regard to a non-linear screening effect and microions correlations. We show how this relation changes with the number of the central macroion charge value on the rise. Characteristics of two different parts of the relation between the effective charge and the initial one are calculated.     

Diagrammatic analysis of correlations in polymer fluids: Cluster diagrams via Edwards’ field theory

Edwards’ functional integral approach to the statistical mechanics of polymer liquids is amenable to a diagrammatic analysis in which free energies and correlation functions are expanded as infinite sums of Feynman diagrams. This analysis is shown to lead naturally to a perturbative cluster expansion that is closely related to the Mayer cluster expansion developed for molecular liquids by Chandler and co-workers. Expansion of the functional integral representation of the grand-canonical partition function yields a perturbation theory in which all quantities of interest are expressed as functionals of a monomer-monomer pair potential, as functionals of intramolecular correlation functions of non-interacting molecules, and as functions of molecular activities. In different variants of the theory, the pair potential may be either a bare or a screened potential. A series of topological reductions yields a renormalized diagrammatic expansion in which collective correlation functions are instead expressed diagrammatically as functionals of the true single-molecule correlation functions in the interacting fluid, and as functions of molecular number density. Similar renormalized expansions are also obtained for a collective Ornstein-Zernicke direct correlation function, and for intramolecular correlation functions. A concise discussion is given of the corresponding Mayer cluster expansion, and of the relationship between the Mayer and perturbative cluster expansions for liquids of flexible molecules. The application of the perturbative cluster expansion to coarse-grained models of dense multi-component polymer liquids is discussed, and a justification is given for the use of a loop expansion. As an example, the formalism is used to derive a new expression for the wave-number dependent direct correlation function and recover known expressions for the intramolecular two-point correlation function to first-order in a renormalized loop expansion for coarse-grained models of binary homopolymer blends and diblock copolymer melts.     

Effect of the non‐linear screening on a modification of the Debye–Hückel plus hole approximation in complex plasma

The authors analyse two‐component electroneutral systems of classical macroions of finite size and point‐like oppositely charged microions. This article deals with the modification of the Debye–Hückel plus hole approximation when a non‐linear screening effect is taken into account in a complex plasma. Parameters of non‐linear screening of the macroions by surrounding microions are calculated within the framework of the Poisson–Boltzmann approximation. Two effects are found as a result of such calculations: (a) subdivision of all microions into two subclasses, free microions and bound microions and (b) a significant reduction of an effective charge Z^* of the macroion in comparison with its true value Z due to the non‐linear screening by a thin high‐density envelope of the bound microions. We show that the value of a non‐ideal portion of an internal energy differs considerably in the case when the non‐linear screening effect is taken into account in the vicinity of the macroion.     

A Direct Calculation of First-Order Wave Function of Helium

We develop a simple analytic calculation for the first order wave function of helium in a model in which nuclear charge screening is caused by repulsive coulomb interaction. The perturbation term, first-order correlation energy, and first-order wave function are divided into two components, one componentassociated with the repulsive coulomb interaction and the other proportional to magnetic shielding. The resulting first-order wave functions are applied to calculate second-order energies within the model. We find that the second-order energies are independent of the nuclear charge screening constant in the unperturbed Hamiltonian with a central coulomb potential.     

Asymptotic behavior of correlation functions for electric potential and field fluctuations in a classical one- component plasma

The correlations of the electric potential fluctuations in a classical one-component plasma are studied for large distances between the observation points. The two-point correlation function for these fluctuations is known to decay slowly for large distances, even if exponential clustering holds for the charge correlation functions. In this paper the asymptotic behavior of the generalk-point electric potential correlation functions is analyzed. Each of these correlation functions can be split into a reducible part, which is given by a sum of products of lower-order correlation functions, and a remaining irreducible part. It is shown, on the basis of an exponential clustering hypothesis for the charge correlation functions, that for allk3 the irreducible parts of the electric potential correlation functions decay faster than any inverse power of the distance, if one or more of the observation points move far away from the others. Hence, the two-point electric potential correlation function is the only one with a slow algebraic decay. The same statement holds for the correlation functions of the electric field fluctuations.     

Partial structures and compressibilities of ions in fused potassium bromide

Treating the coulomb interaction between ion species as a perturbation on the Waisman-Lebowitz solution for direct correlation function within the hard core region, the total direct correlation function in K-space has been formulated, which gives a direct method of evaluating the partial structure factors between different ion species of the fused salts through the use of Pearson-Rushbrooke equations. The partial structure factors so obtained have been applied to evaluate the partial radial distribution functions of ion pairs. In addition, many other important associated functions such as the static correlations of total number, mass and charge densities have been computed by particular linear combination of partial structure factors. The charge neutrality relate the partial structure factors to the isothermal compressibility for the wavevectorK → 0 and hence the evaluation of the compressibilities of ions in fused KBr is possible, which agrees well with the observed value. As such the present method is very useful in investigating the structure of molten salts since only the parametersσ _ij , the distances of closest approach between ions andɛ, the effective dielectric constant (which can be estimated from the literature) are enough for this work.     

Fluids of pseudo-hard bodies II. Reference models for water,methanol, and ammonia

Pseudo-hard body fluids resulting from extended primitive models of water, methanol, and ammonia have been investigated both by computer simulations and theory for a number of geometrical parameters. It is shown that none of the existing equations of state and integral equations for the site-site correlation functions is able to describe the properties of the pseudohard body fluids reasonably accurately. For the equation of state an accurate semi-empirical method is proposed and for the site-site correlation functions the reference average Mayer function perturbation theory has been found to perform at least qualitatively correctly, which is not the case with Ornstein-Zernike equation based theories.     

Two-site two-electron generalized Hubbard-Holstein model: a perturbation study

The two-site two-electron generalized Hubbard-Holstein model is studied within a perturbation method based on a variational phonon basis obtained through the modified Lang-Firsov (MLF) transformation. The ground-state wave function and the energy are found including up to the seventh and eighth order of perturbation, respectively. The convergence of the perturbation corrections to the ground state energy, as well as to the correlation functions, are investigated. The kinetic energy and the correlation functions involving charge and lattice deformations are studied as a function of electron-phonon(e-ph) coupling and electron-electron interactions for different values of the adiabaticity parameter. The simultaneous effect of the e-ph coupling and Coulomb repulsion on the kinetic energy shows interesting features.     

Statistical mechanics of linear molecules II: Density expansions,intermolecular potentials and virial coefficients

In the Percus-Yevick and convolution-hypernetted-chain equations obtained in the previous paper, a density expansion for the correlation functions is introduced. To first order in the density, the so-obtained equations are identical and exact. By solving these, the pair correlation functions for linear molecules are obtained explicitly to first order in the density and for arbitrary order in the potential perturbation expansion. From these, the second and third virial coefficients can be extracted for all orders. A generalized charge is defined and used to give generalized multipole expansions for the intermolecular potential. Explicit expressions for this potential model are given up to fourth order. It is shown how the correlation functions, and second and third virial coefficients can be obtained to fourth order for any intermolecular potential with the same perturbation structure.     

Self-similarity of nonlinear screening in asymmetric complex plasmas

In this paper, two-component electroneutral systems of finite-sized macroions and oppositely charged point-like microions in the average spherical electroneutral Wigner–Seitz cell with a central macroion are studied. We investigate the self-similarity of nonlinear screening of highly charged macroions by microions in a classical asymmetrically charged complex plasma. This work is devoted to the problem of the relationship between the effective (‘visible’) charge of the macroion Z^* and its initial charge Z taking into account the effect of the nonlinear screening. It is analysed how the form of the dependence Z^*(Z) changes. The self-similarity of this dependence has been demonstrated for various characteristic system temperatures, macroion concentrations, and macroion sizes.     

准一维体系的电子关联的变分计算

对于具有库仑相互作用的准一维电子体系,本文提出了一种新的模型,得到了准一维体系的电子有效库仑势形式。在相关基函数理论框架下,根据电子气的集体振荡行为,给出该体系的多体波函数,并得到不同密度的电子体系的关联函数和关联能,本文得到的关联函数是恒正的,且满足归一化条件。     

Asymptotic behaviour of the positional and mixed Ursell correlation functions in classical polar fluids

Rigorous asymptotic expressions have been obtained for the positional and mixed Ursell correlation functions in classical equilibrium systems of particles with dipole-dipole interaction at large distance.     

Ionization probability of sputtered particles as a function of their energy: Part II. Positive Si ions

In this paper we represent the experimental ionization probability of sputtered silicon atoms as a function of their energy, which has been obtained for positive Si⁺ ions sputtered from silicon by O₂⁺ ion beam. To explain the experimental data, we have considered ionization of an outgoing atom at a critical distance from the surface, which occurs due to the electron transition between this atom and the surface, and suggested the formation of a local surface charge with the polarity opposite to that of the outgoing ion that has just been formed. Then we have considered the interaction between those two charges, outgoing ion, and surface charge as a process of the particle passage through a spherical potential barrier; as a result, we have obtained the theoretical energy distribution of secondary ions. Together with the well-known Sigmund-Thompson energy distribution of sputtered atoms, the obtained ion energy distribution allowed us to derive the equation for the secondary ion yield versus the sputtered particle energy. Both equations derived have exhibited a quite good correlation with our experimental results and also with a large number of published experimental data.     

Statistical moments of travel times at second order in isotropic and anisotropic random media

We study the high-frequency propagation of acoustic plane and spherical waves in random media. With the geometrical optics and the perturbation approach, we obtain the travel-time mean and travel-time variance at the second order. The main hypotheses are the Gaussian distribution of the acoustic speed perturbation and a factorized form for its correlation function. The second-order travel-time variance explains the nonlinear behaviour at large propagation distance observed with numerical experiments based on ray tracing. Usually, homogeneity and isotropy of the refractive index are considered. Using the geometrical anisotropy hypothesis we extend the theory to a general class of statistically anisotropic random media.     

Renormalizable noncommutative quantum field theory

We discuss the Euclidean noncommutative f⁴₄{\phi^4_4}-quantum field theory as an example of a renormalizable field theory. Using a Ward identity, Disertori, Gurau, Magnen and Rivasseau were able to prove the vanishing of the beta function for the coupling constant to all orders in perturbation theory. We extend this work and obtain from the Schwinger–Dyson equation a non-linear integral equation for the renormalised two-point function alone. The non-trivial renormalised four-point function fulfils a linear integral equation with the inhomogeneity determined by the two-point function. These integral equations might be the starting point of a nonperturbative construction of a Euclidean quantum field theory on a noncommutative space. We expect to learn about renormalisation from this almost solvable model.     

Numerical solution of the Sinanoǧlu equation using a multicentre radial-angular grid

ABSTRACT

The pair functions that minimise the correlation energy of second-order many-body perturbation (MP2) theory (the Hylleraas functional) are obtained as solutions to the corresponding Sinano?lu equation by expanding them on a six-dimensional, multicentre, radial-angular grid of two electrons. Cusps in the pair functions at the nuclei are described numerically accurately by the multicentre grid. A cusp in each singlet pair function at the coalescence of the two electrons is taken into account analytically by a correlation factor. With a grid of approximately 10,000 points per atom, the MP2 correlation energies for atoms and polyatomic molecules are obtained usually within 0.1 mE _h of the complete-basis-set results. The correlation factor, auxiliary basis functions, and a judicious choice of integration algorithms are all necessary to stabilise the grid-based MP2 and underlying Hartree–Fock (HF) calculations. The auxiliary basis set, in particular, largely restores the hermiticity and diagonal dominance of the Fock matrix as well as furnishes virtual orbitals used in a resolution-of-the-identity approximation to lower the dimension of some integrals. The results of the grid-based HF and MP2 calculations without a correlation factor are found to suffer from large, nonsystematic errors frequently.     

Upper bounds for ground-state correlation functions in the Hubbard model

We present rigorous bounds on the ground-state spin and charge correlation functions of the single-band Hubbard model defined on a bipartite lattice. In the attractive case, the spin correlation function is bounded from above by a quantity depending only on the value of the Coulomb interaction. A similar result is obtained in the half-filled repulsive model when the charge and the on-site pairing correlation functions are considered. The present results imply that the related susceptibilities never diverge and the absence of corresponding long-range orders.     

Meson correlation function and screening mass in thermal QCD

Analytical results for the spatial dependence of the correlation functions for all meson excitations in perturbative Quantum Chromodynamics, the lowest order, are calculated. The meson screening mass is obtained as a large distance limit of the correlation function. Our analysis leads to a better understanding of the excitations of Quark Gluon Plasma at sufficiently large temperatures and may be of relevance for future numerical calculations with fully interacting Quantum Chromodynamics.     

Field theoretical approach to inhomogeneous ionic systems: thermodynamic consistency with the contact theorem,Gibbs adsorption and surface tension

Using a statistical field approach we investigate the structure of an electrolyte solution in contact with a neutral impenetrable wall. The Hamiltonian contains the Coulomb interaction and the ideal entropy. At the level of the quadratic approximation, the Hamiltonian yields the Debye-Hückel theory in the bulk. Analytic expressions of the charge-charge and potential-potential inhomogeneous correlation functions are obtained. Exact asymptotic results for point ion charge correlation functions are obtained and the profile for the fluctuation of the electric potential is calculated. We also consider the term beyond the quadratic expansion of the ideal entropy in the Hamiltonian. With this term a higher order coupling between charge density and number density produces a non-trivial profile for the total ion density. This density profile is consistent with the contact theorem and the related surface tension calculated from the Gibbs adsorption isotherm.