Related papers: Density matrices in quantum field theory: Non-Mark…
To go beyond Gaussian approximation to the Hohenberg-Kohn free energy playing the key role in the density functional theory (DFT), the density functional \textit{integral} representation would be relevant, because field theoretical approach…
Density functional theory is a successful branch of numerical simulations of quantum systems. While the foundations are rigorously defined, the universal functional must be approximated resulting in a `semi'-ab initio approach. The search…
We discuss two methods of an exact stochastic representation of the non-Markovian quantum dynamics of open systems. The first method employs a pair of stochastic product vectors in the total system's state space, while the second method…
The most general evolution of the density matrix of a quantum system with a finite-dimensional state space is by stochastic maps which take a density matrix linearly into the set of density matrices. These dynamical stochastic maps form a…
The dynamics of open quantum systems is formulated in a minimally extended state space comprising the degrees of freedom of a system of interest and a finite set of non-unitary, pure-state reservoir modes. This formal structure, derived…
The mapping of time-dependent densities on potentials in quantum mechanics is critically examined. The issue is of significance ever since Runge and Gross (Phys. Rev. Lett. 52, 997 (1984)) established the uniqueness of the mapping, forming…
The Wigner formulation of quantum mechanics is used to derive a new path integral representation of quantum density of states. A path integral Monte Carlo approach is developed for the numerical investigation of density of states, internal…
Many complex systems are characterized by intriguing spatio-temporal structures. Their mathematical description relies on the analysis of appropriate correlation functions. Functional integral techniques provide a unifying formalism that…
A Density Matrix Functional theory is constructed semi-empirically for the two-level Lipkin model. This theory, based on natural orbitals and occupation numbers, is shown to provide a good description for the ground state energy of the…
A prominent tool to study the dynamics of open quantum systems is the reduced density matrix. Yet, approaching open quantum systems by means of state vectors has well known computational advantages. In this respect, the physical meaning of…
We provide a quantitative evaluation of non-Markovianity (NM) for an XX chain of interacting qubits with one end coupled to a reservoir. The NM of several non-Markovian spectral densities is assessed in terms of various quantum state…
A new density matrix and corresponding quantum kinetic equations are introduced for fermions undergoing coherent evolution either in time (coherent particle production) or in space (quantum reflection). A central element in our derivation…
We provide theory, algorithms, and simulations of non-equilibrium quantum systems using a one-dimensional (1D) completely-positive (CP), matrix-product (MP) density-operator ($\rho$) representation. By generalizing the matrix product…
In a recent paper we have suggested that the finite temperature density matrix can be computed efficiently by a combination of polynomial expansion and iterative inversion techniques. We present here significant improvements over this…
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…
Path-integral techniques are a powerful tool used in open quantum systems to provide an exact solution for the non-Markovian dynamics. However, the exponential scaling of the tensor size with quantum memory length of these techniques limits…
This article is part-I of a review of density-functional theory (DFT) that is the most widely used method for calculating electronic structure of materials. The accuracy and ease of numerical implementation of DFT methods has resulted in…
Entanglement is the fundamental difference between classical and quantum systems and has become one of the guiding principles in the exploration of high- and low-energy physics. The calculation of entanglement entropies in interacting…
Considering von Neumann expression for reduced density matrix as thermodynamic entropy of a system strongly coupled to baths, we use nonequilibrium Green's function (NEGF) techniques to derive bath and energy resolved expressions for…
This paper establishes the applicability of density functional theory methods to quantum computing systems. We show that ground-state and time-dependent density functional theory can be applied to quantum computing systems by proving the…