Related papers: Generalised Nonorthogonal Matrix Elements: Unifyin…
The set of all electronic states that can be expressed as a single Slater determinant forms a submanifold, isomorphic to the Grassmannian, of the projective Hilbert space of wave functions. We explored this fact by using tools of Riemannian…
The Matrix Element Method is a promising multi-variate analysis tool which offers an optimal approach to compare theory and experiment according to the Neyman-Pearson lemma. However, until recently its usage has been limited by the fact…
We use QCD sum rules to determine the twist-two non-singlet operator matrix elements and fixed x structure functions paying particular regard to the estimate of the errors. Particularly for the matrix element determination, we find large…
The modeling of electric machines and power transformers typically involves systems of nonlinear magnetostatics or -quasistatics, and their efficient and accurate simulation is required for the reliable design, control, and optimization of…
The tensorial form of the spin-other-orbit interaction operator in the formalism of second quantization is presented. Such an expression is needed to calculate both diagonal and off-diagonal matrix elements according to an approach, based…
Employing a relativistic version of a hypervirial result, recurrence relations for arbitrary non-diagonal radial hydrogenic matrix elements have recently been obtained in Dirac relativistic quantum mechanics. In this contribution honoring…
Wavelets are known to be closely related to atomic orbital. A new approach of 2D, 3D and multidimensional wavelet system is proposed from a paralell with anti-symmetric systems of several isolated particles. The theory of fermionic states…
We present a general methodology to evaluate matrix elements of the effective core potentials (ECPs) within one-electron basis set of Slater-type orbitals (STOs). The scheme is based on translation of individual STO distributions in the…
This work builds on Varchenko et al's introduction of bilinear forms for hyperplane arrangements, where the determinant of the associated matrices factorizes into simple components. While one of the determinant formula developed by…
We calculate the non-forward quark matrix elements for operators with two covariant derivatives in one-loop lattice perturbation theory using Wilson fermions. These matrix elements are needed in the renormalisation of the second moment of…
Euler angles determining rotations of a system as a whole are conveniently separated in three-particle basis functions. Analytic integration of matrix elements over Euler angles is done in a general form. Results for the Euler angle…
Spatially localized one-electron orbitals, orthogonal and nonorthogonal, are widely used in electronic structure theory to describe chemical bonding and speed up calculations. In order to avoid linear dependencies of localized orbitals, the…
A generalized vector particle theory with the use of an extended set of Lorentz group irredicible representations, including scalar, two 4-vectors, and antisymmetric 2-rang tensor, is investigated. Initial equations depend upon four complex…
We use QCD sum rules to determine directly the leading-twist non-singlet operator matrix elements based on calculations of three-point correlator functions in configuration space. We find a different result from that obtained by integrating…
In this paper we study Maxwell lattices with non-rectilinear constraints, where the elastic energy is determined by the collective motion of three or more particles, in contrast to a rectilinear spring whose elastic energy only relies on…
Resolvents of set-valued operators play a central role in various branches of mathematics and in particular in the design and the analysis of splitting algorithms for solving monotone inclusions. We propose a generalization of this notion,…
In this paper, an idea to solve nonlinear equations is presented. During the solution of any problem with Newton's Method, it might happen that some of the unknowns satisfy the convergence criteria where the others fail. The convergence…
We present a new method for computing orbits in the perturbed two-body problem: the position and velocity vectors of the propagated object in Cartesian coordinates are replaced by eight orbital elements, i.e., constants of the unperturbed…
We justify the WKB analysis for generalized nonlinear Schr{\"o}dinger equations (NLS), including the hyperbolic NLS and the Davey-Stewartson II system. Since the leading order system in this analysis is not hyperbolic, we work with analytic…
In a recent publication (Telhat Ozdogan, Int. J. Quantum Chem., 92 (2003) 419), we presented a unified algorithm for the evaluation of multicenter multielectron integrals over Slater type orbitals with noninteger principal quantum numbers,…