Related papers: Finite-size effects in response functions of molec…
The scaling of correlations as a function of system size provides important hints to understand critical phenomena on a variety of systems. Its study in biological systems offers two challenges: usually they are not of infinite size, and in…
We analyze the method for calculation of properties of non-relativistic quantum systems based on exact diagonalization of space-discretized short-time evolution operators. In this paper we present a detailed analysis of the errors…
The paper proposes an approximate expression for calculating very complex one-dimensional integrals depending on the parameter $a$. These integrals often occur in computational problems theory of magnetic solitons. The resulting analytical…
While the preparation of a general quantum state is challenging, realistic problem instances, such as those encountered in quantum chemistry and quantum machine learning-typically exhibit hierarchical amplitude structures, consisting of a…
On account of its application to the present and future analysis of the virtual photon correction to the hadronic properties by means of lattice QCD simulation, we initiate the study of the finite size scaling effect on the QED correction…
This paper addresses a multi-scale finite element method for second order linear elliptic equations with arbitrarily rough coefficient. We propose a local oversampling method to construct basis functions that have optimal local…
Simulation of quantum chemistry is expected to be a principal application of quantum computing. In quantum simulation, a complicated Hamiltonian describing the dynamics of a quantum system is decomposed into its constituent terms, where the…
Response functions of quantum systems, such as electron Green's functions, magnetic, or charge susceptibilities, describe the response of a system to an external perturbation. They are the central objects of interest in field theories and…
An important class of physical systems that are of interest in practice are input-output open quantum systems that can be described by quantum stochastic differential equations and defined on an infinite-dimensional underlying Hilbert…
A method of cut-off regularization is proposed to evaluate vacuum corrections in nuclear matter in the framework of the Hartree approximation. Bulk properties of nuclear matter calculated by this method are a good agreement with results…
Using Monte Carlo simulations, finite-size effects of interfacial properties in the rough phase of the Ising on a cubic lattice with $L\times L\times R$ sites are studied. In particular, magnetization profiles perpendicular to the flat…
We consider the cumulant expansion of the PAM employing the hybridization as perturbation (Phys. Rev. B 50, 17933 (1994)), and we obtain formally exact one-electron Green's functions (GF). These GF contain effective cumulants that are as…
The Carleman linearization is one of the mainstream approaches to lift a finite-dimensional nonlinear dynamical system into an infinite-dimensional linear system with the promise of providing accurate approximations of the original…
We propose to use the eigenfunctions of a one-electron model Hamiltonian to perform electron-nucleus mean field configuration interaction (EN-MFCI) calculations. The potential energy of our model Hamiltonian corresponds to the Coulomb…
Kernel approximation with exponentials is useful in many problems with convolution quadrature and particle interactions such as integral-differential equations, molecular dynamics and machine learning. This paper proposes a weighted…
The question of nuclear response functions in a homogeneous medium is examined. A general method for calculating response functions in the random phase approximation (RPA) with exchange is presented. The method is applicable for…
Quantum many-body systems involving bosonic modes or gauge fields have infinite-dimensional local Hilbert spaces which must be truncated to perform simulations of real-time dynamics on classical or quantum computers. To analyze the…
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…
The Short-Time approximation is a method introduced to evaluate electroweak nuclear response for systems with $A\geq12$, extending the reach of first-principle many-body Quantum Monte Carlo calculations. Using realistic two- and three-body…
We present a method to perform fully selfconsistent density-functional calculations, which scales linearly with the system size and which is well suited for very large systems. It uses strictly localized pseudoatomic orbitals as basis…