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We have developed a McMurchie-Davidson-like recursion formula for efficient evaluation of the Coulomb attraction and interaction matrix elements between two-dimensional primitive Cartesian Gaussian type orbitals. We also present recurrence…
We try to define the more general form of iterative processes in which the Pomeau-Manneville and the Feigenbaum scenario may occur along with their specific scaling properties. Doing this we need to generalize other basic concepts. Thus,…
We will introduce an associative (or quantum) version of Poisson structure tensors. This object is defined as an operator satisfying a "generalized" Rota-Baxter identity of weight zero. Such operators are called generalized Rota-Baxter…
Quantum physics has revealed many interesting formal properties associated with the algebra of two operators, A and B, satisfying the partial commutation relation AB-BA=1. This study surveys the relationships between classical combinatorial…
We compute the orbital magnetization in real materials by evaluating a recently discovered formula for periodic systems, within density functional theory. We obtain improved values of the orbital magnetization in the ferromagnetic metals…
The construction of an analytic orbit theory that takes into account the main effects of the Geopotential is notably simplified when splitting the removal of periodic effects in several stages. Conversely, this splitting of the analytical…
The Oriented Associativity equation plays a fundamental role in the theory of Integrable Systems. In this paper we prove that the equation, besides being Hamiltonian with respect to a first-order Hamiltonian operator, has a third-order…
The suggested operator manifold formalism enables to develop an approach to the unification of the geometry and the field theory. We also elaborate the formalism of operator multimanifold yielding the multiworld geometry involving the…
Unitary operators are essential to quantum mechanics, however for discrete systems larger than a qubit, it is difficult to express them in a self-contained way. This report presents just such a description, providing a compact, useful…
Baxter's Q-operator is generally believed to be the most powerful tool for the exact diagonalization of integrable models. Curiously, it has hitherto not yet been properly constructed in the simplest such system, the compact spin-1/2…
We investigate the suitability of natural orbitals as a basis for describing many-body excitations. We analyze to which extend the natural orbitals describe both bound as well as ionized excited states and show that depending on the…
We study generalized polar decompositions of densely defined, closed linear operators in Hilbert spaces and provide some applications to relatively (form) bounded and relatively (form) compact perturbations of self-adjoint, normal, and…
We present a simple and general method for construction of localized orbitals to describe electronic structure of extended periodic metals and insulators as well as confined systems. Spatial decay of these orbitals is found to exhibit…
In this paper we propose some Hamiltonian characterizing the interaction of the two-level atom and both the single radiation mode and external field, which might be a generalization of that of Sch{\"o}n and Cirac (quant-ph/0212068). We…
This paper provides a connection to the non-Hermitian operators associated with the geometric potential function $s$ and Baker-Hausdorff formula. The geometric quantum potential is considered in a precise condition. The Ri-operator as a…
Coulomb integrals, i.e., matrix elements of bare or screened Coulomb interaction between one-electron orbitals, are fundamental objects in many approaches developed to tackle the challenging problem of calculating the electronic structure…
Based on standard perturbation theory, we present a full quantum derivation of the formula for the orbital magnetization in periodic systems. The derivation is generally valid for insulators with or without a Chern number, for metals at…
In the framework of 't Hooft's quantization proposal, we show how to obtain from the composite system of two classical Bateman's oscillators a quantum isotonic oscillator. In a specific range of parameters, such a system can be interpreted…
We provide a general method for constructing bosonic Bogoliubov transformations that diagonalize a general class of quadratic Hamiltonians. These Hamiltonians describe the pair interaction models. Bogoliubov transformations are constructed…
A formalism for the study of highly interacting electronic systems is presented. The proposed scheme is based on two key concepts: composite operators and algebra constraints. Composite field operators, that naturally appear as a…