Dispersion theoretic perturbation methods

The manuscript is organized as follows. In Chapter 1 the Chew-Mandelstam equations are derived and there is a general discussion of the partial wave disperison relations and the ODD ambiguity. The dispersion theoretic method of Dashen and Frautschi is presented in Chapter 2 both for single as well as multi channel case. PATCH's investigation of the Dashen-Frautschi method is reviewed in Chapter 5.One of the criticisms concerned the poor convergence of the equations in the presence of short range forces, while the other dealt with the problem of including contributions coming from infra-red divergent terms in the input to the DF expressions. In order to handle the first difficulty a method of modified perturbed dispersion relations is presented and applied to a model calculation in potential theory with good results. A modified Pagels-type procedure to solve the resulting equations for N and D functions is employed. This procedure is then applied to investigate the modified perturbed dispersion relations technique in the presence of long range forces. All this is done in Chapter 4.The modified Pagels-type procedure is employed in Chapter 5 to generate Regge trajectories, the object being to see whether reasonable it is possible to Reggeize the direct channel while using unreggeized input in the crossed channels' is shown that this is possible provided the cut-off is chosen suitably. In Chapter 6 the problem of infra-red divergent contributions to the input in the Dashen-Frautschi method is again treated along the lines of a suggestion due to SQUIRES. The procedure is carried out within the context of potential theory where it is shown to give satisfactory results. The full details of the method are exposed in an Appendix to this Chapter

Interatomic Methods for the Dispersion Energy Derived from the Adiabatic Connection Fluctuation-Dissipation Theorem

Interatomic pairwise methods are currently among the most popular and accurate ways to include dispersion energy in density functional theory (DFT) calculations. However, when applied to more than two atoms, these methods are still frequently perceived to be based on \textit{ad hoc} assumptions, rather than a rigorous derivation from quantum mechanics. Starting from the adiabatic connection fluctuation-dissipation (ACFD) theorem, an exact expression for the electronic exchange-correlation energy, we demonstrate that the pairwise interatomic dispersion energy for an arbitrary collection of isotropic polarizable dipoles emerges from the second-order expansion of the ACFD formula. Moreover, for a system of quantum harmonic oscillators coupled through a dipole--dipole potential, we prove the equivalence between the full interaction energy obtained from the Hamiltonian diagonalization and the ACFD correlation energy in the random-phase approximation. This property makes the Hamiltonian diagonalization an efficient method for the calculation of the many-body dispersion energy. In addition, we show that the switching function used to damp the dispersion interaction at short distances arises from a short-range screened Coulomb potential, whose role is to account for the spatial spread of the individual atomic dipole moments. By using the ACFD formula we gain a deeper understanding of the approximations made in the interatomic pairwise approaches, providing a powerful formalism for further development of accurate and efficient methods for the calculation of the dispersion energy

Improved estimators for dispersion models with dispersion covariates

In this paper we discuss improved estimators for the regression and the dispersion parameters in an extended class of dispersion models (J{\o}rgensen, 1996). This class extends the regular dispersion models by letting the dispersion parameter vary throughout the observations, and contains the dispersion models as particular case. General formulae for the second-order bias are obtained explicitly in dispersion models with dispersion covariates, which generalize previous results by Botter and Cordeiro (1998), Cordeiro and McCullagh (1991), Cordeiro and Vasconcellos (1999), and Paula (1992). The practical use of the formulae is that we can derive closed-form expressions for the second-order biases of the maximum likelihood estimators of the regression and dispersion parameters when the information matrix has a closed-form. Various expressions for the second-order biases are given for special models. The formulae have advantages for numerical purposes because they require only a supplementary weighted linear regression. We also compare these bias-corrected estimators with two different estimators which are also bias-free to the second-order that are based on bootstrap methods. These estimators are compared by simulation

Optimal low-dispersion low-dissipation LBM schemes for computational aeroacoustics

Lattice Boltmzmann Methods (LBM) have been proved to be very effective methods for computational aeroacoustics (CAA), which have been used to capture the dynamics of weak acoustic fluctuations. In this paper, we propose a strategy to reduce the dispersive and disspative errors of the two-dimensional (2D) multi-relaxation-time lattice Boltzmann method (MRT-LBM). By presenting an effective algorithm, we obtain a uniform form of the linearized Navier-Stokes equations corresponding to the MRT-LBM in wave-number space. Using the matrix perturbation theory and the equivalent modified equation approach for finite difference methods, we propose a class of minimization problems to optimize the free-parameters in the MRT-LBM. We obtain this way a dispersion-relation-preserving LBM (DRP-LBM) to circumvent the minimized dispersion error of the MRT-LBM. The dissipation relation precision is also improved.And the stability of the MRT-LBM with the small bulk viscosity is guaranteed. Von Neuman analysis of the linearized MRT-LBM is performed to validate the optimized dispersion/dissipation relations considering monochromatic wave solutions. Meanwhile, dispersion and dissipation errors of the optimized MRT-LBM are quantitatively compared with the original MRT-LBM . Finally, some numerical simulations are carried out to assess the new optimized MRT-LBM schemes.Comment: 33 page