Related papers: Liouvillian recursion method for the electronic Gr…
Recently, we developed the projective truncation approximation for the equation of motion of two-time Green's functions (P. Fan et al., Phys. Rev. B 97, 165140 (2018)). In that approximation, the precision of results depends on the…
Let $L$ be a second-order, homogeneous, constant (complex) coefficient elliptic system in ${\mathbb{R}}^n$. The goal of this article is provide a qualitative and quantitative study of the nature of the Green function associated with the…
We developed a fast numerical methodfor complex symmetric shifted linear systems, which is motivated by the quantum-mechanical (electronic-structure) theory in nanoscale materials. The method is named shifted Conjugate Orthogonal Conjugate…
Machine learning methods are applied to finding the Green's function of the Anderson impurity model, a basic model system of quantum many-body condensed-matter physics. Different methods of parametrizing the Green's function are…
We review and numerically study a protocol for Liouvillian learning based on randomized Pauli states and measurements. In particular, in the two-body, long-range interactions, and single-body noise setting, we describe the complete workflow…
The nonequilibrium thermodynamics of interacting quantum many-body systems is investigated within the framework of thermal time-dependent density functional theory using a generalized linear-response formulation for the full quantum work…
We present methods of finding complex eigenvalues of the Liouvillian of an open quantum system. The goal is to find eigenvalues that cannot be predicted from the eigenvalues of the corresponding Hamiltonian. Our model is a T-type quantum…
The recursion relations of 2D quantum gravity coupled to the Ising model discussed by the author previously are reexamined. We study the case in which the matter sector satisfies the fusion rules and only the primary operators inside the…
We start from the QED Lagrangian to describe a charged many-particle system coupled to the radiation field. A covariant density matrix approach to kinetic theory of QED plasmas, subjected to a strong external electro-magnetic field has…
We provide a physical interpretation of the first and second order terms occurring in Ruelle's response formalism. We show that entropy fluxes play a major role in determining the response of the system to perturbations. Along this line, we…
The popular, stable, robust and computationally inexpensive cubic spline interpolation algorithm is adopted and used for finite temperature Green's function calculations of realistic systems. We demonstrate that with appropriate…
We propose a scheme for the construction of one-particle Green's function (GF) of an interacting electronic system via statistical sampling on a quantum computer. Although the non-unitarity of creation and annihilation operators for the…
Recursion formulae are derived for the calculation of two centre matrix elements of a radial function in relativistic quantum mechanics. The recursions are obtained between not necessarily diagonal radial eigensates using arbitrary radial…
In principle, the Luttinger-Ward Green's function formalism allows one to compute simultaneously the total energy and the quasiparticle band structure of a many-body electronic system from first principles. We present approximate and exact…
An electronic orbital of a dihedral angle of a molecular chain is introduced. A tight-binding Hamiltonian on the basis of the dihedral orbitals is defined. This yields the Green's function between two dihedral angles of the chain. It is…
We present a high-accuracy procedure for electronic structure calculations of strongly correlated materials. To address limitations in current electronic structure methods, we employ density functional theory in combination with the…
In this work we develop an algebraic theory of linear recurrence equations and systems with constant coefficients and reflection. We obtain explicit solutions and the Green's functions associated to different problems under general linear…
We present a feedback protocol that is able to confine a system to a single micro-state without heat dissipation. The protocol adjusts the Hamiltonian of the system in such a way that the Bayesian posterior distribution after measurement is…
We review various theoretical methods that have been used in recent years to calculate dynamical correlation functions of many-body systems. Time-dependent correlation functions and their associated frequency spectral densities are the…
In this chapter we focus first on the theoretical methods and relevant computational approaches to calculate the electronic structure of atoms, molecules, and clusters containing heavy elements for which relativistic effects become…