相关论文: Configuration interaction based nonequilibrium ste…

We apply a two-particle semi-analytic approach to a single Anderson impurity attached to two biased metallic leads. The theory is based on reduced parquet equations justified in critical regions of singularities in the Bethe-Salpeter…

Energy decomposition analysis (EDA) based on absolutely localized molecular orbitals (ALMOs) decomposes the interaction energy between molecules into physically interpretable components like geometry distortion, frozen interactions,…

The numerical renormalization group method is used to investigate zero temperature phase transitions in quantum impurity systems, in particular in the particle-hole symmetric soft-gap Anderson model. The model displays two stable phases…

We introduce a new procedure for iterative selection of determinant spaces capable of describing highly correlated systems. This adaptive configuration interaction (ACI) determines an optimal basis by an iterative procedure in which the…

We address the interaction between two quantum systems (A and B) that is mediated by their common linear environment. If the environment is out of equilibrium the resulting interaction violates Onsager relations and cannot be described by a…

We present a quantum alternating operator ansatz (QAOA$^+$) that solves a class of linearly constrained optimization problems by evolving a quantum state within a Hilbert subspace of feasible problem solutions. Our main focus is on a class…

We study the nonequilibrium steady state of the Bose Hubbard model coupled to Lindblad reservoirs, using the density matrix renormalization group in operator space. We observe a transition from a flat particle density profile in the…

We present an ab-initio-based effective interaction model (EIM) for the study of magnetism, thermodynamics, and their interplay in body-centered cubic Fe-Co alloys, with Co content from 0 to 70%. The model includes explicitly both spin and…

We consider quantum entanglement in strongly correlated quantum impurity systems for states manifesting interesting properties such as multi-level Kondo effect and dual nature between itineracy and localization etc.. For this purpose, we…

We apply the Hubbard model, non-equilibrium Green's function (NEGF) theory, exact diagonalization (ED) and the hierarchical equations of motion (HEOM) method to investigate abundant magnetic phase transitions in the 1D interacting quantum…

We present a hardware-reconfigurable ansatz on $N_q$-qubits for the variational preparation of many-body states of the Anderson impurity model (AIM) with $N_{\text{imp}}+N_{\text{bath}}=N_q/2$ sites, which conserves total charge and spin…

Accurate and efficient quantum control in the presence of constraints and decoherence is a requirement and a challenge in quantum information processing. Shortcuts to adiabaticity, originally proposed to speed up slow adiabatic process,…

We address the steady-state behavior of a system consisting of several correlated monoatomic layers sandwiched between two metallic leads under the influence of a bias voltage. In particular, we investigate the effect of the local Hubbard…

We investigate the out-of-equilibrium properties of a simple quantum impurity model, the interacting resonant level model (IRLM). We focus on the scaling regime, where the bandwidth of the fermions in the leads is larger than all the other…

We describe a numerical algorithm for approximating the equilibrium-reduced density matrix and the effective (mean force) Hamiltonian for a set of system spins coupled strongly to a set of bath spins when the total system (system+bath) is…

Momentum dependent local-ansatz wavefunction approach (MLA) to the correlated electron systems in solids has been further developed to solve best a self-consistent equation for variational parameters at non half-filling. With use of the…

We present a model intended for rapid sampling of ground and excited state potential energy surfaces for first-row transition metal active sites. The method is computationally inexpensive and is suited for dynamics simulations where (1)…

We solve the long-standing central spin problem for a general set of inhomogeneous bath couplings and a large class of initial bath states. We compute the time evolution of the coherence of a central spin coupled to a spin bath by resumming…

We present a new multi-fluid, multi-temperature plasma solver with adaptive Cartesian mesh (ACM) based on a full-Newton (non-linear, implicit) scheme for collisional low-temperature plasma. The particle transport is described using the…

We investigate the superconducting Anderson impurity model for interacting quantum dot Josephson junctions with spin-orbit coupling and a term accounting for tunnelling through higher-energy orbitals. These elements establish the conditions…