Related papers: Density matrix embedding: A strong-coupling quantu…
Ab initio calculation of the electronic properties of materials is a major challenge for solid state theory. Whereas the experience of forty years has proven density functional theory (DFT) in a suitable, e.g. local approximation (LDA) to…
Recent advances in atomic manipulation techniques have provided a novel bottom-up approach to investigating the unconventional properties and complex phases of strongly correlated electron materials. By engineering artificial condensed…
Using the density matrix renormalization group (DMRG) method, we study the quantum coherence in one-dimensional disordered Fermi systems. We consider in detail spinless fermions on a ring, and compare the influence of several kinds of…
We investigate the entanglement properties of multiparticle systems, concentrating on the case where the entanglement is robust against disposal of particles. Two qubits -belonging to a multipartite system- are entangled in this sense iff…
For finite-dimensional quantum systems, such as qubits, a well established strategy to protect such systems from decoherence is dynamical decoupling. However many promising quantum devices, such as oscillators, are infinite dimensional, for…
Area laws describe how entanglement entropy scales and thus provide important necessary conditions for efficient quantum many-body simulation, but they do not, by themselves, yield a direct measure of computational complexity. Here we…
The physical properties of a quantum many-body system can, in principle, be determined by diagonalizing the respective Hamiltonian, but the dimensions of its matrix representation scale exponentially with the number of degrees of freedom.…
We study the properties of mixed states obtained from eigenstates of many-body lattice Hamiltonians after tracing out part of the lattice. Two scenarios emerge for generic systems: (i) the diagonal entropy becomes equivalent to the…
Warm dense matter (WDM) -- an exotic state of highly compressed matter -- has attracted high interest in recent years in astrophysics and for dense laboratory systems. At the same time, this state is extremely difficult to treat…
We illustrate the main features of a recently proposed method based on ensemble density functional theory to divide rigorously a complex molecular system into its parts [M.H. Cohen and A. Wasserman, J. Phys. Chem. A 111, 2229 (2007)]. The…
The methods of quantum chemistry and solid state theory to solve the many-body problem are reviewed. We start with the definitions of reduced density matrices, their properties (contraction sum rules, spectral resolutions, cumulant…
Accurate and predictive computations of the quantum-mechanical behavior of many interacting electrons in realistic atomic environments are critical for the theoretical design of materials with desired properties, and require solving the…
The density matrix of a non-relativistic quantum system, divided into $N$ sub-systems, is rewritten in terms of the set of all partitioned density matrices for the system. For the case where the different sub-systems are distinguishable, we…
We present a symmetry-based calculation of the electronic structure of a compound semiconductor quantum dot (QD) in the sp^3s* tight-binding model including the spin-orbit interaction. The Hamiltonian matrix is diagonalized exactly for CdTe…
We introduce a general bipartite-like representation and Schmidt decomposition of an arbitrary pure state of $N$ indistinguishable fermions, based on states of $M<N$ and $(N-M)$ fermions. It is directly connected with the reduced $M$- and…
We study the ground state properties of the one-dimensional extended Hubbard model at half-filling from the perspective of its particle reduced density matrix. We focus on the reduced density matrix of $2$ fermions and perform an analysis…
We develop a formalism for the robust dynamical decoupling and Hamiltonian engineering of strongly interacting qudit systems. Specifically, we present a geometric formalism that significantly simplifies qudit pulse sequence design, while…
The applications of machine learning techniques to chemistry and materials science become more numerous by the day. The main challenge is to devise representations of atomic systems that are at the same time complete and concise, so as to…
Accurately treating strong electron correlation in quantum chemistry typically requires multireference wave-function methods with steep computational scaling. The recently proposed i-DMFT method promises near configuration-interaction…
A reduced-density-matrix (RDM)-based approach to {\em ab initio} cavity quantum electrodynamics (QED) is developed. The expectation value of the Pauli-Fierz Hamiltonian is expressed in terms of one- and two-body electronic and photonic…