相关论文: Exploring Coupled Cluster Green's function as a me…
We present an accelerated and hardware parallelized integral-equation solver for the problem of acoustic scattering by a two-dimensional surface in three-dimensional space. The approach is based, in part, on the novel Interpolated Factored…
In realistic nanoelectronics, disordered impurities/defects are inevitable and play important roles in electron transport. However, due to the lack of effective quantum transport method to do disorder average, the important effects of…
Impurities with the pronounced forward scattering (FS impurities) change analytical properties of the quasiparticle Green's function substantially compared to the isotropic scattering. By assuming that the superconducting pairing is due to…
This study introduces a systematic approach for analyzing strongly correlated systems by adapting the conventional quantum cluster method to a quantum circuit model. We have developed a more concise formula for calculating the cluster's…
On the basis of the Green function method, analytical solutions of the diffusion equation which describes nonstationary migration of nonequilibrium interstitial impurity atoms have been derived. It is supposed that the initial distribution…
The description of the dynamics of correlated electrons in quantum impurity models is typically described within the nonequilibrium Green function formalism combined with a suitable approximation. One common approach is based on the…
The impurity Green's function exact to the first order in the vacancy concentration has been calculated in the framework of the five frequency model (5FM). The solution in terms of determinant ratios has been obtained with the use of the…
The impurity Green's function Gf in the local non-Fermi liquid state is evaluated by means of the continuous-time quantum Monte Carlo method extended to the multichannel Anderson model. For N=M (where N and M are numbers of spin components…
In this paper, the Green's function and decomposition technique is proposed for solving the coupled Lane-Emden equations. This approach depends on constructing Green's function before establishing the recursive scheme for the series…
Quantum computers can accurately compute ground state energies using phase estimation, but this requires a guiding state that has significant overlap with the true ground state. For large molecules and extended materials, it becomes…
Motivated by recent experimental refinements of stellar reaction rates, we establish a non-perturbative Green's function formalism based on the exact solution of the Dyson equation for sub-barrier proton-nucleus resonant scattering. By…
The charged and magnetic states of isolated impurities dissolved in amorphous metallic alloy are investigated. The Hamiltonian of the system under study is the generalization of Anderson impurity model. Namely, the processes of elastic and…
Molecular electronics studies have advanced from early, simple single-molecule experiments at cryogenic temperatures to complex and multifunctional molecules under ambient conditions. However, room-temperature environments increase the risk…
Quantum defect embedding theory (QDET) is a many-body embedding method designed to describe condensed systems with correlated electrons localized within a given region of space, for example spin defects in semiconductors and insulators.…
The central problem in electronic structure theory is the computation of the eigenvalues of the electronic Hamiltonian -- an unbounded, self-adjoint operator acting on a Hilbert space of antisymmetric functions. Coupled cluster (CC)…
We propose a mixed-configuration approximation based on single-band impurity solvers to efficiently study nonequilibrium multi-orbital systems at moderate computational cost. In this work, we merge the approach with the so-called auxiliary…
This paper proposes a novel method to establish the wellposedness and convergence theory of the uniaxial-perfectly-matched-layer (UPML) method in solving a two-dimensional acoustic scattering problem due to a compactly supported source,…
We present an efficient implementation of the Generalized Green's function Cluster Expansion (GGCE), which is a new method for computing the ground-state properties and dynamics of polarons (single electrons coupled to lattice vibrations)…
Quantum embedding methods have recently developed significantly to model large molecular structures. This work proposes a novel wave function theory in density functional theory (WTF-in-DFT) embedding scheme based on pair-coupled cluster…
We applied cluster density matrix embedding theory, with some modifications, to a spin lattice system. The reduced density matrix of the impurity cluster is embedded in the bath states, which are a set of block-product states. The ground…