Related papers: Tensor hypercontraction for fully self-consistent …
In this paper, a microscopic theory of magnetic-interaction-induced pairing in superconductivity of high temperature superconductors (HTSC) was developed on the basis of four idealized assumptions: (1) only a small number of electrons(or…
We present an efficient and accurate method for calculating electronic structure and related properties of random alloys with a proper treatment of local environment effects. The method is a generalization of the locally self-consistent…
A microscopic theory of superconductivity is formulated within an effective $p$-$d$ Hubbard model for a CuO2 plane. By applying the Mori-type projection technique, the Dyson equation is derived for the Green functions in terms of Hubbard…
We present GW calculations of molecules, ordered and disordered solids and interfaces, which employ an efficient contour deformation technique for frequency integration, and do not require the explicit evaluation of virtual electronic…
The off-diagonal components of thermal conductance tensor, thermal Hall conductivities (THCs), have extensively been studied in recent condensed matter experiments to investigate fractionalized quantum spin liquids, and quantum Hall…
We implement the numerical method of summing Green function diagrams on the Matsubara frequency axis for the fluctuation exchange (FLEX) approximation. Our method has previously been applied to the attractive Hubbard model for low density.…
We present calculations of magnetic exchange interactions and critical temperature T_c in Mn:GaAs, Cr:GaAs and Cr:GaN. The local spin density approximation is combined with a linear-response technique to map the magnetic energy onto a…
We present a real-time second-order Green's function (GF) method for computing excited states in molecules and nanostructures, with a computational scaling of $O(N_{\rm e}^3$), where $N_{\rm e}$ is the number of electrons. The cubic scaling…
We report the implementation of the real-time equation-of-motion coupled-cluster (RT-EOM-CC) cumulant Green's function method [J. Chem. Phys. 152, 174113 (2020)] within the Tensor Algebra for Many-body Methods (TAMM) infrastructure. TAMM is…
We present THC: a new high-order flux-vector-splitting code for Newtonian and special-relativistic hydrodynamics designed for direct numerical simulations of turbulent flows. Our code implements a variety of different reconstruction…
Two-particle Green's functions and the vertex functions play a critical role in theoretical frameworks for describing strongly correlated electron systems. However, numerical calculations at two-particle level often suffer from large…
Charged excitations of the oligoacene family of molecules, relevant for astrophysics and technological applications, are widely studied and therefore provide an excellent system for benchmarking theoretical methods. In this work, we…
The family of Green's function methods based on the $GW$ approximation has gained popularity in the electronic structure theory thanks to its accuracy in weakly correlated systems combined with its cost-effectiveness. Despite this,…
The very intriguing antagonistic interplay of antiferromagnetism (AF) and superconductivity (SC), recently discovered in high-temperature superconductors, is studied in the framework of a microscopic theory. We explain the surprisingly…
With the increasing energy demand and the growing integration of renewable sources of energy, power systems face operational challenges such as overloads, losses, and stability concerns, particularly as networks operate near their capacity…
One of the most striking but mysterious properties of the sinh-Gordon model (ShG) is the $b \rightarrow 1/b$ self-duality of its $S$-matrix, of which there is no trace in its Lagrangian formulation. Here $b$ is the coupling appearing in the…
In this paper, we present an efficient and stable method to determine the one-particle Green's function in the hybridization-expansion continuous-time (CT-HYB) quantum Monte Carlo method, within the framework of the dynamical mean-field…
While multilinear algebra appears natural for studying the multiway interactions modeled by hypergraphs, tensor methods for general hypergraphs have been stymied by theoretical and practical barriers. A recently proposed adjacency tensor is…
The Green's function coupled cluster (GFCC) method is a powerful many-body tool for computing the electronic structure of molecular and periodic systems, especially when electrons of the system are strongly correlated. However, for the GFCC…
The wave function and binding energy for shallow donors in GaAs are calculated within the tight binding (TB) approach, for supercells containing up to two million atoms. The resulting solutions, coupled with a scaling law, allow…