Related papers: Algebraic diagrammatic construction formalism with…
Nonequilibrium Green's functions represent a promising tool for describing central nuclear reactions. Even at the single-particle level, though, the Green's functions contain more information that computers may handle in the foreseeable…
We extend coupled-cluster theory performed on top of a Slater determinant breaking rotational symmetry to allow for the exact restoration of the angular momentum at any truncation order. The main objective relates to the description of…
An algorithm, based on numerical description of the terms of many-body perturbation theory (Goldstone diagrams), is presented. The algorithm allows the use of the same piece of computer code to evaluate any particular diagram in any…
We discuss the analytic and diagrammatic structure of ionization potential (IP) and electron affinity (EA) equation-of-motion coupled-cluster (EOM-CC) theory, in order to put it on equal footing with the prevalent $GW$ approximation. The…
This document reports on the use of an algebraic, visual, formal approach to the specification of patterns for the formalization of the GoF design patterns. The approach is based on graphs, morphisms and operations from category theory and…
A new framework for $A(d,p)B$ reactions is introduced by merging the microscopic approach to computing the properties of the nucleon-target systems and the three-body $n+p+A$ reaction formalism, thus providing a consistent link between the…
The fabrication of nanomaterials involves self-ordering processes of functional molecules on inorganic surfaces. To obtain specific molecular arrangements, a common strategy is to equip molecules with functional groups. However, focusing on…
We present algebraic diagrammatic construction theory for simulating spin-orbit coupling and electron correlation in charged electronic states and photoelectron spectra. Our implementation supports Hartree-Fock and multiconfigurational…
The past two decades have seen a revolution in ab initio calculations of nuclear properties. One key element has been the development of a rigorous effective interaction theory, applying unitary transformations to soften the nuclear…
Including finite-temperature effects from the electronic degrees of freedom in electronic structure calculations of semiconductors and metals is desired; however, in practice it remains exceedingly difficult when using zero-temperature…
The unprecedented predictive success of deep generative models in complex many-body systems, such as AlphaFold3, raises an epistemological question: do these networks merely memorize data distributions via high-dimensional interpolation, or…
A review of electronic dynamics of single-impurity and many-impurity Anderson models is contained in this report. Those models are used widely for many of the applications in diverse fields of interest, such as surface physics, theory of…
The hierarchical three-body problem has many applications in relativistic astrophysics, and can play an important role in the formation of the binary black hole mergers detected by LIGO/Virgo. However, many studies have only included…
A comprehensive and detailed account is presented for the finite-temperature many-body perturbation theory for electrons that expands in power series all thermodynamic functions on an equal footing. Algebraic recursions in the style of the…
Historic steps in the emergence, the derivation and the use of three-nucleon forces, genuine and effective, for calculations of few-nucleon systems and of the structure of heavier nuclei are recalled. The research focus is on few-nucleon…
A formal expansion for the Green's functions of an interacting quantum field theory in a parameter that somehow encodes its "distance" from the corresponding non-interacting one was introduced more than thirty years ago, and has been…
We address the few-body problem using the adiabatic hyperspherical representation. A general form for the hyperangular Green's function in $d$-dimensions is derived. The resulting Lippmann-Schwinger equation is solved for the case of…
For a system of fermions with a three-body contact interaction the second-order contributions to the energy per particle $\bar E(k_f)$ are calculated exactly. The three-particle scattering amplitude in the medium is derived in closed…
A linear algebraic method named the shifted conjugate-orthogonal-conjugate-gradient method is introduced for large-scale electronic structure calculation. The method gives an iterative solver algorithm of the Green's function and the…
Accurately describing many-body effects in multi-orbital systems remains a major challenge in theoretical condensed matter physics. At present, there is a significant methodological gap between the numerical tools used in ab initio…