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Strongly correlated systems containing d/f-electrons present a challenge to conventional density functional theory (DFT), such as the widely used local density approximation (LDA) or generalized gradient approximation (GGA). In this work,…
The random-phase approximation (RPA) is here applied to a two-orbital model for the BiS2-based superconductors that was recently proposed by Usui et al., arXiv:1207.3888. Varying the density of doped electrons per Bi site, n, in the range…
We first consider the idea of renormalization group-induced estimates, in the context of optimization procedures, for the Brodsky-Lepage-Mackenzie approach to generate higher-order contributions to QCD perturbative series. Secondly, we…
We generalize the recently introduced single-boson exchange formalism to nonlocal interactions. In the functional renormalization group application to the extended Hubbard model in two dimensions, we show that the flow of the rest function…
We show that the DCSD (distinguishable clusters with all singles and doubles) correlation method permits the calculation of vibrational spectra at near-CCSD(T) quality but at no more than CCSD cost, and with comparatively inexpensive…
Semilocal exchange-correlation functionals are the most accurate, realistic and widely used ones to describe the complex many-electron effects of two-dimensional quantum systems. Beyond local density approximation, the generalized gradient…
A fast method is developed for calculating the Random-Phase-Approximation (RPA) correlation energy for density functional theory. The correlation energy is given by a trace over a projected RPA response matrix and the trace is taken by a…
We show that perturbatively-small higher-derivative corrections to the Einstein-Hilbert action can lead to order-one modifications of the quasinormal mode spectrum of near-extremal Kerr black holes. The spectrum of such black holes contains…
This paper investigates existence of the nonstandard Pade approximants introduced by Cherkaev and Zhang in J. Comp. Phys. 2009 for approximating the spectral function of composites from effective properties at different frequencies. The…
We analyze BPS black hole attractors in 4d gauged supergravity in the presence of higher derivative supersymmetric terms, including a Weyl-squared-type action, and determine the resulting corrections to the Bekenstein-Hawking entropy. The…
The pursuit of robustness has recently been a popular topic in reinforcement learning (RL) research, yet the existing methods generally suffer from efficiency issues that obstruct their real-world implementation. In this paper, we introduce…
Low-rank plus diagonal (LRPD) decompositions provide a powerful structural model for large covariance matrices, simultaneously capturing global shared factors and localized corrections that arise in covariance estimation, factor analysis,…
Time dependent quantum systems are the subject of intense inquiry, in mathematics, science, and engineering, particularly at the atomic and molecular levels. In 1984, Runge and Gross introduced time dependent density functional theory…
Hydrogen bonding is an important non-covalent interaction that plays a major role in molecular self-organization and supramolecular structures. It can be described accurately with ab initio quantum chemical wave function methods, which…
In this thesis we study adaptive nonparametric regression with noise misspecification and the complexity of approximation of random fields in dependence of the dimension. First, we consider the problem of pointwise estimation in…
Regularized linear discriminant analysis (RLDA) is a widely used tool for classification and dimensionality reduction, but its performance in high-dimensional scenarios is inconsistent. Existing theoretical analyses of RLDA often lack clear…
First-principles dynamical CPA (Coherent-Potential Approximation) for electron correlations has been developed further by taking into account higher-order dynamical corrections with use of the asymptotic approximation. The theory is applied…
A modified density matrix renormalization group (DMRG) algorithm is applied to the zigzag spin-1/2 chain with frustrated antiferromagnetic exchange $J_1$, $J_2$ between first and second neighbors. The modified algorithm yields accurate…
We investigate fractional-charge and fractional-spin errors in range-separated density-functional theory. Specifically, we consider the range-separated hybrid (RSH) method which combines long-range Hartree-Fock (HF) exchange with a…
We present an approach to renormalized second-order Green's function perturbation theory (GF2) which avoids all dependency on continuous variables, grids or explicit Green's functions, and is instead formulated entirely in terms of static…