相关论文: Hubbard parameters from density-functional perturb…

Nonlinear effects are crucial in order to compute the cosmological matter power spectrum to the accuracy required by future generation surveys. Here, a new approach is presented, in which the power spectrum, the bispectrum and higher order…

We explore recent estimations of the Hubble parameter $H$ depending on redshift $z$, which include 31 $H(z)$ data points measured from differential ages of galaxies and 26 data points, obtained with other methods. We describe these data…

Repeated computations on the same molecular system, but with different geometries, are often performed in quantum chemistry, for instance, in ab-initio molecular dynamics simulations or geometry optimizations. While many efficient…

An accurate analytic approximation of the transfer function for the power spectra of primordial density perturbations in mixed dark matter models is presented. The fitting formula in a matter-dominated Universe ($\Omega_0=\Omega_M=1$) is a…

We present a general setting in which the formula describing the linear response of the physical measure of a perturbed system can be obtained. In this general setting we obtain an algorithm to rigorously compute the linear response. We…

The effective low-energy models of the Hubbard model are usually derived from perturbation theory. Here we derive the effective model of the Hubbard model in spin space and t-J space using a unitary transformation from numerical…

We introduce a new method of estimation of parameters in semiparametric and nonparametric models. The method is based on estimating equations that are $U$-statistics in the observations. The $U$-statistics are based on higher order…

The Hodgkin and Huxley (H-H) model is a nonlinear system of four equations that describes how action potentials in neurons are initiated and propagated, and represents a major advance in the understanding of nerve cells. However, some of…

In this article, we employ a machine learning (ML) approach for the estimations of four fundamental parameters, namely, the Hubble constant ($H_0$), matter ($\Omega_{0m}$), curvature ($\Omega_{0k}$) and vacuum ($\Omega_{0\Lambda}$)…

In this paper we address the challenging problem of designing globally convergent estimators for the parameters of nonlinear systems containing a non-separable exponential nonlinearity. This class of terms appears in many practical…

Landau parameters determined from phenomenological finite-range interactions are used to get an estimation of N$^3$LO pseudopotentials parameters. The parameter sets obtained in this way are shown to lead to consistent results concerning…

Within a Lagrangian formalism we derive the time-dependent Gutzwiller approximation for general multi-band Hubbard models. Our approach explicitly incorporates the coupling between time-dependent variational parameters and a time-dependent…

A new diagrammatic technique is developed to describe nonlocal effects (e.g., pseudogap formation) in the Hubbard-like models. In contrast to cluster approaches, this method utilizes an exact transition to the dual set of variables, and it…

The Hubbard model has a special role in Condensed Matter Theory as it is considered as the simplest Hamiltonian model one can write in order to describe anomalous physical properties of some class of real materials. Unfortunately, this…

An algorithm for first-principles electronic structure calculations having a computational cost which scales linearly with the system size is presented. Our method exploits the real-space localization of the density matrix, and in this…

Based on the variational Gutzwiller theory, we present a method for the computation of response functions for multiband Hubbard models with general local Coulomb interactions. The improvement over the conventional random-phase approximation…

Predictions of the next-to-leading order, i.e. one-loop, halo power spectra depend on local and non-local bias parameters up to cubic order. The linear bias parameter can be estimated from the large scale limit of the halo-matter power…

We use updated Hubble parameter and baryon acoustic oscillation data, as well as other lower-redshift Type Ia supernova, Mg II reverberation-measured quasar, quasar angular size, H II starburst galaxy, and Amati-correlated gamma-ray burst…

High-performance batteries, heterogeneous catalysts and next-generation photovoltaics often centrally involve transition metal oxides (TMOs) that undergo charge or spin-state changes. Demand for accurate DFT modeling of TMOs has increased…

We constructed the one-particle spectral functions (diagonal and off-diagonal) which reproduce BCS for weak coupling and which take into account the effect of correlations on superconductivity in the attractive Hubbard model. The diagonal…