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We construct the most general form of our previously proposed nonlinear extension of quantum mechanics that possesses three basic properties. Unlike the simpler model, the new version is not completely integrable, but it has an underlying…
This paper analyses the GW method for finite electronic systems. In a first step, we provide a mathematical framework for the usual one-body operators that appear naturally in many-body perturbation theory. We then discuss the GW equations…
The orthogonal group acts on the space of several $n\times n$ matrices by simultaneous conjugation. For an infinite field of characteristic different from two, relations between generators for the algebra of invariants are described. As an…
We present a novel route to constructing cost-efficient semi-empirical approximations for the non-additive kinetic energy in subsystem density functional theory. The developed methodology is based on the use of Slater determinants composed…
Let $H^{\infty}(E)$ be a non commutative Hardy algebra, associated with a $W^*$-correspondence $E$. In this paper we construct factorizations of inner-outer type of the elements of $H^{\infty}(E)$ represented via the induced representation,…
Our understanding of emission from a collection of emitters strongly interacting among them and also with other polarizable matter in proximity has been approximated by independent emission from the emitters. This is primarily due to our…
A new generalized cyclic symmetric structure in the factor matrices of polyadic decompositions of matrix multiplication tensors for non-square matrix multiplication is proposed to reduce the number of variables in the optimization problem…
The multiplicative Newton-like method developed by the author et al. is extended to the situation where the dynamics is restricted to the orthogonal group. A general framework is constructed without specifying the cost function. Though the…
Matrices of the irreducible representations of double crystallographic point groups O, Td, Ox{1,I} and Tdx{1,I} are derived. The characteristic polynomials (spinor bases) up to the sixth power are obtained. The method for the derivation of…
We assume that every element of a matrix has a small, individual error, and model it by an external number, which is the sum of a nonstandard real number and a neutrix, the latter being a convex (external) set having the group property. The…
The decomposition of nonlocal operators (and of their matrix elements) into an (infinite) series w.r.t. geometric twist is used to introduce (new) parton distributions, generalized parton distributions and hadron wave functions of definite…
A new electronic structure model is developed in which the ground state energy of a molecular system is given by a Hartree-Fock-like expression with parametrized one- and two-electron integrals over an extended (minimal + polarization) set…
General recurrence relations for arbitrary non-diagonal, radial hydrogenic matrix elements are derived in Dirac relativistic quantum mechanics. Our approach is based on a generalization of the second hypervirial method previously employed…
We present a unified approach to (bi-)orthogonal basis sets for gravitating systems. Central to our discussion is the notion of mutual gravitational energy, which gives rise to the self-energy inner product on mass densities. We consider a…
Methods for calculating an electron density of a periodic crystal constructed using non-orthogonal localised orbitals are discussed. We demonstrate that an existing method based on the matrix expansion of the inverse of the overlap matrix…
Motivated by a certain molecular reconstruction methodology in cryo-electron microscopy, we consider the problem of solving a linear system with two unknown orthogonal matrices, which is a generalization of the well-known orthogonal…
The Feynman--Hellmann approach to computing matrix elements in lattice QCD by first adding a perturbing operator to the action is described using the transition matrix and the Dyson expansion formalism. This perturbs the energies in the…
Extending the notion of geometric bijections for regular matroids, introduced by the first and third author with Matthew Baker, we describe a family of bijections between bases of an oriented matroid and special orientations. These…
Space-time multivectors in Clifford algebra (space-time algebra) and their application to nonlinear electrodynamics are considered. Functional product and infinitesimal operators for translation and rotation groups are introduced, where…
The general linear model is a universally accepted method to conduct and test multiple linear regression models. Using this model one has the ability to simultaneously regress covariates among different groups of data. Moreover, there are…