Related papers: Resolvent-Based Self-Consistent Framework with Hie…
An interacting lattice model describing the subspace spanned by a set of strongly-correlated bands is rigorously coupled to density functional theory to enable ab initio calculations of geometric and topological material properties. The…
Quantum many-body theory has witnessed tremendous progress in various fields, ranging from atomic and solid-state physics to quantum chemistry and nuclear structure. Due to the inherent computational burden linked to the ab initio treatment…
We study chaotic many-body quantum dynamics in a minimal model with spatial structure and local interactions. It has a time-independent Hamiltonian, in contrast to quantum circuits and Brownian models, and is simple at the single-site…
Using a general-order ab initio many-body Green's function method, we numerically illustrate several pathological behaviors of the Feynman-Dyson diagrammatic perturbation expansion of one-particle many-body Green's functions as electron…
This is the first in a series of papers in which we investigate the resolvent and spectral measure on non-trapping asymptotically hyperbolic manifolds with applications to the restriction theorem, spectral multiplier results and Strichartz…
In the standard framework of self-consistent many-body perturbation theory, the skeleton series for the self-energy is truncated at a finite order $\mathcal{N}$ and plugged into the Dyson equation, which is then solved for the propagator…
Time-resolved spectroscopy is a powerful tool for probing electron dynamics in molecules and solids, revealing transient phenomena on sub-femtosecond timescales. The interpretation of experimental results is often enhanced by parallel…
The complex scaling method (CSM) is a useful similarity transformation of the Schr\"odinger equation, in which bound-state spectra are not changed but continuum spectra are separated into resonant and non-resonant continuum ones. Because…
Although self-consistent multi-configuration methods have been used for decades to address the description of atomic and molecular many-body systems, only a few trials have been made in the context of nuclear structure. This work aims at…
We address combinatorial problems that can be formulated as minimization of a partially separable function of discrete variables (energy minimization in graphical models, weighted constraint satisfaction, pseudo-Boolean optimization, 0-1…
In this work, we develop a self-consistent Hartree-Fock approach to theoretically study the far-from-equilibrium quantum dynamics of interacting fermions, and apply this approach to explore the onset of many-body localization (MBL) in these…
Reentrant computation-recursive self-coupling in which a network continuously reinjects and reinterprets its own internal state-plays a central role in biological cognition but remains poorly characterized in neural network architectures.…
The development of numerical methods capable of simulating realistic materials with strongly correlated electrons, with controllable errors, is a central challenge in quantum many-body physics. Here we describe how a hybrid between…
The multi-configurational self-consistent field theory is considered the standard starting point for almost all multireference approaches required for strongly-correlated molecular problems. The limitation of the approach is generally given…
We extend the classical deconvolution framework in Rn to the case with a pseudodifferential-like solution operator with a symbol depending on both the base and cotangent variable. Our framework enables deconvolution with spatially varying…
We propose a systematic approach to the non-equilibrium dynamics of strongly interacting many-body quantum systems, building upon the standard perturbative expansion in the Coulomb interaction. High order series are derived from the Keldysh…
We report an implementation of self-consistent Green's function many-body theory within a second-order approximation (GF2) for application with molecular systems. This is done by iterative solution of the Dyson equation expressed in matrix…
In a typical scenario the diagrammatic many-body perturbation theory generates asymptotic series. Despite non-convergence, the asymptotic expansions are useful when truncated to a finite number of terms. This is the reason for popularity of…
The multiconfiguration Dirac-Fock (MCDF) model uses a linear combination of Slater determinants to approximate the electronic $N$-body wave function of a relativistic molecular system, resulting in a coupled system of nonlinear eigenvalue…
We present the fundamental techniques and working equations of many-body Green's function theory for calculating ground state properties and the spectral strength. Green's function methods closely relate to other polynomial scaling…