Related papers: Significant Conditions on the Two-electron Reduced…
The purpose of this paper is to deal with the issue of well-posedness for a class of non-Newtonian fluid dynamics equations. These sets of equations are commonly used to describe various complex models that appear in nature, industry, and…
We discussed exact solutions of the Schroedinger equation for a two-dimensional parabolic confinement potential in a homogeneous external magnetic field. It turns out that the two-electron system is exactly solvable in the sense, that the…
The Lindblad equation is a widely used quantum master equation to model the dynamical evolution of open quantum systems whose states are described by density matrices. These solution matrices are characterized by semi-positiveness and trace…
Tensor hypercontraction is a method that allows the representation of a high-rank tensor as a product of lower-rank tensors. In this paper, we show how tensor hypercontraction can be applied to both the electron repulsion integral (ERI)…
We study conditions of reduction of the multidimensional wave equation - a system of the d'Alembert and Hamilton equations. We prove necessary conditions for compatibility of such system of the reduction conditions. Possible types of the…
Linear response (LR) is an important tool in the computational chemist's toolbox. It is therefore no surprise that the emergence of quantum computers has led to a quantum version, quantum LR (qLR). However, the current quantum era of…
General properties of new models of the electronic Fock spaces based on the notion of (p,q)-sheaves are studied. Interrelation between simple sheaves and density operators is established. Explicit expressions for the transformed reduced…
We present Schmidt decomposition formulas for mutually orthogonal two-qubit pure states and classify orthonormal sets based on their entanglement structure. First, we derive explicit Schmidt decomposition formulas for any pure state and…
We analyze the problem of determining the electronic ground state within O(N) schemes, focusing on methods in which the total energy is minimized with respect to the density matrix. We note that in such methods a crucially important…
A new density matrix renormalisation group (DMRG) approach is presented for quantum systems of two spatial dimensions. In particular, it is shown that it is possible to create a multi-chain-type 2D DMRG approach which utilises previously…
We present an implementation of the three-neutron quantization condition (QC) derived in previous work. We construct the matrices appearing in the QC and determine solutions numerically. The symmetries of the QC allow the projection onto…
We describe a simple, black-box compression format for tensors with a multiscale structure. By representing the tensor as a sum of compressed tensors defined on increasingly coarse grids, we capture low-rank structures on each grid-scale,…
Positivity preservation is naturally guaranteed in exact non-Markovian master equations for open quantum system dynamics. However, in many approximated non-Markovian master equations, the positivity of the reduced density matrix is not…
A quasi-representation of a group is a map from the group into a matrix algebra (or similar object) that approximately satisfies the relations needed to be a representation. Work of many people starting with Kazhdan and Voiculescu, and…
Matrix product density operators (MPDOs) are tensor network representations of locally purified density matrices where each physical degree of freedom is associated to an environment degree of freedom. MPDOs have interesting properties for…
We present a second-order formulation of multi-reference algebraic diagrammatic construction theory [Sokolov, A. Yu. J. Chem. Phys. 2018, 149, 204113] for simulating photoelectron spectra of strongly correlated systems (MR-ADC(2)). The…
The technique of $Q$-polinomials are used to derive the $w$- constraints in the two-matrix and Kontsevich-like model at finite $N$. These constraints are closed and form Lie algebra. They are associated with the matrices, $\lambda…
We introduce a supervised dimensionality reduction methodology for categorical (and discretized mixed-type) data based on a density-matrix construction induced by class-conditional frequencies. Given a labeled dataset encoded in a one-hot…
A symmetrized Density Matrix Renormalization Group procedure together with the correction vector approach is shown to be highly accurate for obtaining dynamic linear and third order polarizabilities of one-dimensional Hubbard and $U-V$…
Properties that are necessarily formulated within pure (symmetric) expectation values are difficult to calculate for projector quantum Monte Carlo approaches, but are critical in order to compute many of the important observable properties…