Related papers: Self-energy embedding theory (SEET) for periodic s…
One-body Green's function theories implemented on the real frequency axis offer a natural formalism for the unbiased theoretical determination of quasiparticle spectra in molecules and solids. Self-consistent Green's function methods…
For Hamiltonian systems, simulation algorithms that exactly conserve numerical energy or pseudo-energy have seen extensive investigation. Most available methods either require the iterative solution of nonlinear algebraic equations at each…
If we prepare an isolated, interacting quantum system in an eigenstate and perturb a local observable at an initial time, its expectation value will relax towards a thermal expectation value, even though the time evolution of the system is…
This paper presents a novel methodology for fast simulation and analysis of transient heat transfer. The proposed methodology is suitable for real-time applications owing to (i) establishing the solution method from the viewpoint of…
Determining ground state energies of quantum systems by hybrid classical/quantum methods has emerged as a promising candidate application for near-term quantum computational resources. Short of large-scale fault-tolerant quantum computers,…
A system with a metastable phase and a pseudo continuous set of the heterogeneous centers is considered. An analytical theory for kinetics of the process of condensation in such a system is constructed. The free energy of formation of the…
Suppression of rectification at metal--Mott-insulator interfaces, which is previously shown by numerical solutions to the time-dependent Schr\"odinger equation and experiments on real devices, is reinvestigated theoretically by…
We extend the frozen density embedding theory to non-integer subsystems' particles numbers. Different features of this formulation are discussed, with special concern for approximate embedding calculations. In particular, we highlight the…
An embedding scheme is developed for the Dirac Hamiltonian H. Dividing space into regions I and II separated by surface S, an expression is derived for the expectation value of H which makes explicit reference to a trial function defined in…
To date, computational methods for modeling defects (vacancies, adsorbates, etc.) rely on periodic supercells in which the defect is far enough from its repeated image such that they can be assumed non-interacting. Yet, the relative…
There is a dichotomy in the nonequilibrium dynamics of quantum many body systems. In the presence of integrability, expectation values of local operators equilibrate to values described by a generalized Gibbs ensemble, which retains…
The Coulomb gauge model of QCD is studied with the introduction of a confining potential into the scalar part of the vector potential. Using a Green function formalism, we derive the self-energy for this model, which has both scalar and…
In this paper, the eigenvalue embedding problem of the undamped piezoelectric structure system with no-spillover (EEP-PS) is considered. It aims to update the original system to a new undamped piezoelectric structure system, such that some…
We construct a discrete model of fluid particles according to the GENERIC formalism. The model has the form of Smoothed Particle Hydrodynamics including correct thermal fluctuations. A slight variation of the model reproduces the…
We investigate the eigenstate thermalization hypothesis (ETH) for a translationally invariant quantum spin system on the $d$-dimensional cubic lattice under the periodic boundary conditions. It is known that the ETH holds in this model for…
Compared to common density functionals, ab initio wave function methods can provide greater reliability and accuracy, which could prove useful when modeling adsorbates or defects of otherwise periodic systems. However, the breaking of…
We compare the pole structure of the electronic Green's function obtained by Cluster Dynamical Mean Field Theory to the results from the fractionalized Pair Density Wave idea. In the superconducting phase, we can consider the system in a…
We develop an exact theory of coherence-selective stroboscopic resetting for quadratic open quantum systems within the single-particle density-matrix formalism. We focus on the survival of coherences and the associated thermodynamic cost at…
We revisit the volume Green's function integral equation for modelling light scattering with discretization strategies as well as numerical integration recipes borrowed from finite element method. The merits of introducing finite element…
Starting from a 3D electrothermal field problem discretized by the Finite Integration Technique, the equivalence to a circuit description is shown by exploiting the analogy to the Modified Nodal Analysis approach. Using this analogy, an…