Related papers: Second-order Green's function perturbation theory …
The many-body Green's function provides access to electronic properties beyond density functional theory level in ab inito calculations. In this manuscript, we propose a deep learning framework for predicting the finite-temperature Green's…
Recent results obtained by applying the method of self-consistent Green's functions to nuclei and nuclear matter are reviewed. Particular attention is given to the description of experimental data obtained from the (e,e'p) and (e,e'2N)…
In this work the existence of periodic solutions is studied for the Hamiltonian functions (Formula presented.) where the first term consist of a harmonic oscillator and the second term are homogeneous polynomials of degree 5 defined by two…
Energy functionals of the Green's function can simultaneously provide spectral and thermodynamic properties of interacting electrons' systems. Though powerful in principle, these formulations need to deal with dynamical…
It is well known that second order homogeneous linear ordinary differential equations with slowly varying coefficients admit slowly varying phase functions. This observation underlies the Liouville-Green method and many other techniques for…
The analytic energy gradients in the atomic orbital representation have recently been published (J. Chem. Phys. 146, 014102, 2017) within the framework of the natural orbital functional theory (NOFT). We provide here an alternative…
First principles approaches have been successful in solving many-body Hamiltonians for real materials to an extent when correlations are weak or moderate. As the electronic correlations become stronger often embedding methods based on first…
Theoretical descriptions of the spectrum of electronic excitations in real metals have not yet reached a fully predictive, "first-principles" stage. In this paper we begin by presenting brief highlights of recent progress made in the…
Green's function techniques for studying nonequilibrium processes in two-band superconductor are discussed. Perturbation expansions and Green's function equations are developed. A time dependent modification of the Ginsburg-Landau equation…
Sub-wavelength arrays of quantum emitters offer an efficient free-space approach to coherent light-matter interfacing, using ultracold atoms or two-dimensional solid-state quantum materials. The combination of collectively suppressed…
Background. The Gorkov approach to self-consistent Green's function theory has been formulated in [V. Som\`a, T. Duguet, C. Barbieri, Phys. Rev. C 84, 064317 (2011)]. Over the past decade, it has become a method of reference for…
We apply tensor hypercontraction (THC) to reduce the computational scaling of expensive fully self-consistent Green's function methods. We present an efficient MPI-parallel algorithm and its implementation for evaluating the correlated…
The homogenization of periodic elastic composites is addressed through the reformulation of the local equations of the mechanical problem in a geometric functional setting. This relies on the definition of Hilbert spaces of kinematically…
Our research highlights the effectiveness of utilizing matrices akin to Wishart matrices, derived from magnetization time series data under specific dynamics, to elucidate phase transitions and critical phenomena in the Q-state Potts model.…
I review the application of self-consistent Green's functions methods to study the properties of infinite nuclear systems. Improvements over the last decade, including the consistent treatment of three-nucleon forces and the development of…
Using the Green's function formalism, an ab initio theory for band structures of crystals is derived starting from the Hartree-Fock approximation. It is based on the algebraic diagrammatic construction scheme for the self-energy which is…
We present an implementation and analysis of a stochastic high performance algorithm to calculate the correlation energy of three dimensional periodic systems in second-order M{\o}ller-Plesset perturbation theory (MP2). In particular we…
We present a second-order formulation of multi-reference algebraic diagrammatic construction theory [Sokolov, A. Yu. J. Chem. Phys. 2018, 149, 204113] for simulating photoelectron spectra of strongly correlated systems (MR-ADC(2)). The…
We consider the canonical ensemble of a system of point particles on the sphere interacting via a logarithmic pair potential. In this setting, we study the associated Gibbs measure and partition function, and we derive explicit formulas…
This work assess the reliability of the recently proposed [Phys. Rev. Lett. 127, 233001, 2021] global natural orbital functional (GNOF) in the treatment of the strong electron correlation regime. We first use an H10 benchmark set of four…