Related papers: Tensor hypercontraction for fully self-consistent …
We present a simple implementation of the dynamical mean-field theory approach to the electronic structure of strongly correlated materials. This implementation achieves full self-consistency over the charge density, taking into account…
For the paradigmatic case of H2-dissociation we compare state-of-the-art many-body perturbation theory (MBPT) in the GW approximation and density-functional theory (DFT) in the exact-exchange plus random-phase approximation for the…
We present an explicitly correlated formalism for the second-order single-particle Green's function method (GF2-F12) that does not assume the popular diagonal approximation, and describes the energy dependence of the explicitly correlated…
Solar oscillations can be modeled by Galbrun's equation which describes Lagrangian wave displacement in a self-gravitating stratified medium. For spherically symmetric backgrounds, we construct an algorithm to compute efficiently and…
The ultrafast hole dynamics triggered by the photoexcitation of molecular targets is a highly correlated process even for those systems, like organic molecules, having a weakly correlated ground state. We here provide a unifying framework…
An efficient algorithm is constructed for contracting two-dimensional tensor networks under periodic boundary conditions. The central ingredient is a novel renormalization step that scales linearly with system size, i.e. from $L \to L+1$.…
We compute bounce solutions describing false vacuum decay in a Phi**4 model in two dimensions in the Hartree approximation, thus going beyond the usual one-loop corrections to the decay rate. We use zero energy mode functions of the…
We show that the Tensor Renormalization Group (TRG) method can be applied to O(N) spin models, principal chiral models and pure gauge theories (Z2, U(1) and SU(2)) on (hyper) cubic lattices. We explain that contrarily to some common belief,…
The impact of applying state-of-the-art tensor factorization techniques to modern nuclear Hamiltonians derived from chiral effective field theory is investigated. Subsequently, the error induced by the tensor decomposition of the input…
A consistent microscopic theory of superconductivity for strongly correlated electronic systems is presented. The Dyson equation for the normal and anomalous Green functions for the projected (Hubbard) electronic operators is derived. To…
The mechanism of high-Tc superconductivity is investigated with interests on the microscopic aspects of the condensation energy. The theoretical analysis is performed on the basis of the FLEX approximation which is a microscopic description…
In this paper, we propose a new Green's function embedding method called PEXSI-$\Sigma$ for describing complex systems within the Kohn-Sham density functional theory (KSDFT) framework, after revisiting the physics literature of Green's…
A low-cost approach for stochastically sampling static exchange during TDHF-type propagation is presented. This enables the use of an excellent hybrid DFT starting point for stochastic GW quasiparticle energy calculations. Generalized…
We report a complete implementation of the coupled-cluster method with single, double, and triple excitations (CCSDT) where tensor decompositions are used to reduce its scaling and overall computational costs. For the decomposition of the…
We have used pulsed magnetic fields up to 60Tesla to suppress the contribution of superconducting fluctuations(SCF)to the conductivity above Tc in a series of YBa2Cu3O6+x from the deep pseudogapped state to slight overdoping. Accurate…
In this paper, we consider band-structure calculations governed by the Helmholtz or Maxwell equations in piecewise homogeneous periodic materials. Methods based on boundary integral equations are natural in this context, since they…
This paper presents a full-spectrum Green function methodology (which is valid, in particular, at and around Wood-anomaly frequencies) for evaluation of scattering by periodic arrays of cylinders of arbitrary cross section-with application…
The accurate computation of low-energy spectra of strongly correlated quantum many-body systems, typically accessed via Green's-functions, is a long-standing problem posing enormous challenges to numerical methods. When the spectral…
Information about the pairing mechanism for superconductivity is contained in the spectral weight for the anomalous (Gorkov) Green function. In the most general case, this spectral weight can change sign on the positive real axis or even be…
The self-consistent theory of the correlation effects in Highly Correlated Systems(HCS) is presented. The novel Irreducible Green's Functions(IGF) method is discused in detail for the Hubbard model and random Hubbard model. The…