Related papers: Dynamical configuration interaction: Quantum embed…
The exact formulation of multi-configuration density-functional theory (DFT) is discussed in this work. As an alternative to range-separated methods, where electron correlation effects are split in the coordinate space, the combination of…
Using non-equilibrium Green's functions combined with many-body perturbation theory, we have calculated steady-state densities and currents through short interacting chains subject to a finite electric bias. By using a steady-state…
Variational wave functions and Green's functions are two important paradigms for solving quantum Hamiltonians, each having their own advantages. Here we detail the Variational Discrete Action Theory (VDAT), which exploits the advantages of…
In this study, we introduce a novel approach to coupled-cluster Green's function (CCGF) embedding by seamlessly integrating conventional CCGF theory with the state-of-the-art sub-system embedding sub-algebras coupled cluster (SES-CC)…
We investigate the quantum dynamics of two bosons, trapped in a two-dimensional harmonic trap, upon quenching arbitrarily their interaction strength thereby covering the entire energy spectrum. Utilizing the exact analytical solution of the…
We discuss utilization of kinetic schemes for description of open interacting systems, focusing on vibrational energy relaxation for an oscillator coupled to a nonequilibirum electronic bath. Standard kinetic equations with constant rate…
Point defects are of interest for many applications, from quantum sensing to modifying bulk properties of materials. Because of their localized orbitals, the electronic states are often strongly correlated, which has led to a proliferation…
We review one of the most versatile theoretical approaches to the study of time-dependent correlated quantum transport in nano-systems: the non-equilibrium Green's function (NEGF) formalism. Within this formalism, one can treat, on the same…
The dynamical correlations of nonlocal operators in general quadratic open fermion systems is still a challenging problem. Here we tackle this problem by developing a new formulation of open fermion many-body systems, namely, the…
The quantum dynamics of a low-dimensional system in contact with a large but finite harmonic bath is theoretically investigated by coarse-graining the bath into a reduced set of effective energy states. In this model, the couplings between…
Even when starting with a very poor initial guess, the iterative configuration interaction (iCI) approach can converge from above to full CI very quickly by constructing and diagonalizing a small Hamiltonian matrix at each…
We theoretically investigate a possibility to establish multi-qubit quantum correlations in one-dimensional chains of qubits. We combine a reservoir engineering strategy with coherent dynamics to generate multi-qubit entangled states. We…
In order to simulate open quantum systems, many approaches (such as Hamiltonian-based solvers in dynamical mean-field theory) aim for a reproduction of a desired environment spectral density in terms of a discrete set of bath states,…
We study the quench dynamics of an Anderson impurity model using the configuration interaction (CI) method. In particular, we focus on the relaxation behavior of the impurity occupation. The system is found to behave very differently in the…
We have combined our adaptive configuration interaction (ACI) [J.B. Schriber and F.A. Evangelista, J. Chem. Phys. 144, 161106 (2016)] with a density-fitted implementation of the second-order perturbative multireference driven similarity…
Accurate solution of the many-electron problem including correlations remains intractable except for few-electron systems. Describing interacting electrons as a superposition of independent electron configurations results in an apparent…
We describe some exact high-energy properties of a single Anderson impurity connected to two noninteracting leads in a nonequilibrium steady state. In the limit of high bias voltages, and also in the high-temperature limit at thermal…
We present a strategy for mapping the dynamics of a fermionic quantum system to a set of classical dynamical variables. The approach is based on imposing the correspondence relation between the commutator and the Poisson bracket, preserving…
The Hamiltonian conservative system of two interacting particles has been considered both in classical and quantum description. The quantum model has been realized using a symmetrized two-particle basis reordered in the unperturbed energy.…
We study the nonequilibrium steady-state of a fully-coupled network of $N$ quantum harmonic oscillators, interacting with two thermal reservoirs. Given the long-range nature of the couplings, we consider two setups: one in which the number…