Related papers: Integrity bases for local invariants of composite …
Given a module M over a ring R which has a grading by a semigroup Q, we present a spectral sequence that computes the local cohomology of M at any Q-graded ideal I in terms of Ext modules. This method is used to obtain finiteness results…
The self consistent version of the density functional theory (DFT) is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems such as atoms, molecules and clusters. The exact functional…
We introduce the notion of matrices graph, defining continued fraction algorithms where the past and the future are almost independent. We provide an algorithm to convert more general algorithms into matrices graphs. We present an algorithm…
We investigate the properties of the inverse limit of the algebras of local unitary invariant polynomials of quantum systems containing various types of fermionic and/or bosonic particles as the dimensions of the single particle state…
We integrate the all-electron electronic structure code FHI-aims into the general ChemShell package for solid-state embedding (QM/MM) calculations. A major undertaking in this integration is the implementation of pseudopotential…
The subject of this thesis is the rigorous construction of QFT models with nontrivial interaction. Two different approaches in the framework of AQFT are discussed. On the one hand, an inverse scattering problem is considered. A given…
Quantum dots with conduction electrons or holes originating from several bands are considered. We assume the particles are confined in a harmonic potential and assume the electrons (or holes) belonging to different bands to be different…
We describe a systematic approach to the construction of loop-integrand bases at arbitrary loop-order, sufficient for the representation of general quantum field theories. We provide a graph-theoretic definition of `power-counting' for…
In complex systems, it is often the case that the region of interest forms only one part of a much larger system. The idea of joining two different quantum simulations - a high level calculation on the active region of interest, and a low…
A system of electrons in a local or nonlocal external potential can be studied with 1-matrix functional theory (1MFT), which is similar to density functional theory (DFT) but takes the one-particle reduced density matrix (1-matrix) instead…
We provide a constructive algorithm to find the best separable approximation to an arbitrary density matrix of a composite quantum system of finite dimensions. The method leads to a condition of separability and to a measure of…
Closed-form generating functions for counting one-face rooted hypermaps with a known number of darts by number of vertices and edges is found, using matrix integral expressions relating to the reduced density operator of a bipartite quantum…
We study the one-point and two-point Green's functions in a complex random matrix model to sub-leading orders in the large N limit. We take this complex matrix models as a model for the two-state scattering problem, as applied to spin…
We consider the problem of calculation of correlation functions in the six-vertex model with domain wall boundary conditions. To this aim, we formulate the model as a scalar product of off-shell Bethe states, and, by applying the quantum…
The entanglement characteristics of two qubits are encoded in the invariants of the adjoint action of SU(2) x SU(2) group on the space of density matrices defined as the space of positive semi-definite Hermitian matrices. The corresponding…
We use generalized unitarity at the integrand-level to directly construct local, manifestly dual-conformally invariant formulae for all two-loop scattering amplitudes in planar, maximally supersymmetric Yang-Mills theory (SYM). This…
Given a set of Kohn-Sham orbitals from an insulating system, we present a simple, robust, efficient and highly parallelizable method to construct a set of, optionally orthogonal, localized basis functions for the associated subspace. Our…
We use the theory of dual of Fr\'echet-Schwartz (DFS) spaces to establish a sufficient condition for top-degree solvability for the differential complex associated to a hypocomplex locally integrable structure. As an application, we show…
A recently developed density functional method, within Hohenberg-Kohn-Sham framework, is used for faithful description of atoms, molecules in Cartesian coordinate grid, by using an LCAO-MO ansatz. Classical Coulomb potential is obtained by…
We present an approach to solid-state electronic-structure calculations based on the finite-element method. In this method, the basis functions are strictly local, piecewise polynomials. Because the basis is composed of polynomials, the…