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The matrix equations of the random-phase approximation (RPA) are derived for the point-coupling Lagrangian of the relativistic mean-field (RMF) model. Fully consistent RMF plus (quasiparticle) RPA illustrative calculations of the isoscalar…

In this paper, we present a local convergence analysis of the self-consistent field (SCF) iteration using the density matrix as the state of a fixed-point iteration. Sufficient and almost necessary conditions for local convergence are…

We compute the spectral functions for the two-site dynamical cluster theory and for the two-orbital dynamical mean-field theory in the density-matrix renormalization group (DMRG) framework using Chebyshev expansions represented with matrix…

I use the two-step density-matrix renormalization group method based on two-leg ladder expansion to show numerical evidence of a plaquette ground state for $J_2=1.3J_1$ in the Shastry-Sutherland model. I argue that the DMRG method is very…

The density matrix renormalization group (DMRG) approach is arguably the most successful method to numerically find ground states of quantum spin chains. It amounts to iteratively locally optimizing matrix-product states, aiming at better…

We improve the methodology to construct a complete active space-configuration interaction (CAS-CI) expansion for density-matrix renormalization group (DMRG) wave function using matrix-product state representation, inspired by the…

We present an approach for the calculation of spin density distributions for molecules that require very large active spaces for a qualitatively correct description of their electronic structure. Our approach is based on the density-matrix…

We report an efficient algorithm using density fitting for the relativistic complete active space self-consistent field (CASSCF) method, which is significantly more stable than the algorithm previously reported by one of the authors [J. E.…

Spectral Clustering (SC) is a widely used data clustering method which first learns a low-dimensional embedding $U$ of data by computing the eigenvectors of the normalized Laplacian matrix, and then performs k-means on $U^\top$ to get the…

We have developed a nonperturbative functional renormalization group approach for random field models and related disordered systems for which, due to the existence of many metastable states, conventional perturbation theory often fails.…

The generalization of matrix product states (MPS) to continuous systems, as proposed in the breakthrough paper [F. Verstraete, J.I. Cirac, Phys. Rev. Lett. 104, 190405(2010)], provides a powerful variational ansatz for the ground state of…

The multiscale model combining the multiconfigurational self-consistent field (MCSCF) method with the fully atomistic polarizable Fluctuating Charges (FQ) force field (J. Chem. Theory Comput. 2024, 20, 9954-9967) is here extended to the…

A simplified version of White's Density Matrix Renormalization Group (DMRG) algorithm has been used to find the ground state of the free particle on a tight-binding lattice. We generalize this algorithm to treat the tight-binding particle…

For decades, the computational multiphase flow community has grappled with mass loss in the level set method. Numerous solutions have been proposed, from fixing the reinitialization step to combining the level set method with other…

Stacked Intelligent Metasurfaces (SIM) have emerged as a revolutionary architecture for next-generation wireless communications, offering wave-domain signal processing capabilities with significantly reduced hardware complexity compared to…

The ALPHA collaboration aims to determine $\alpha_s(m_Z)$ with a total error below the percent level. A further step towards this goal can be taken by combining results from the recent simulations of 2+1-flavour QCD by the CLS initiative…

We generalize the dynamical-mean field (DMFT) approximation by including into the DMFT equations some length scale via a momentum dependent ``external'' self-energy S(k). This external self-energy describes non-local dynamical correlations…

State-specific complete active space self-consistent field (SS-CASSCF) theory has emerged as a promising route to accurately predict electronically excited energy surfaces away from molecular equilibria. However, its accuracy and…

We consider damped driven Maxwell-Bloch equations which are finite-dimensional approximation of the damped driven Maxwell-Schr\"odinger equations. The equations describe a single-mode Maxwell field coupled to a two-level molecule. Our main…

Correlated electron states are at the root of many important phenomena including unconventional superconductivity (USC), where electron-pairing arises from repulsive interactions. Computing the properties of correlated electrons, such as…