Related papers: Variational exact diagonalization method for Ander…
This PhD thesis conducts a focused study of strongly correlated materials with localized electron orbitals. We have studied two real materials (LuNiO$_3$ and VO$_2$) and one model system, i.e., the Anderson impurity model. The thesis is…
An efficient way of solving 2D stability problems in fluid mechanics is to use, after discretization of the equations that cast the problem in the form of a generalized eigenvalue problem, the incomplete Arnoldi-Chebyshev method. This…
We extend the recently developed real-time Diagrammatic Monte Carlo method, in its hybridization expansion formulation, to the full Kadanoff-Baym-Keldysh contour. This allows us to study real-time dynamics in correlated impurity models…
The two-channel Anderson impurity model serves as a prototype for describing heavy-fermion materials with a possible mixed-valent regime with both quadrupolar and magnetic character. We report on the low-energy physics of the model, using a…
We formulate a class of velocity-free finite-particle methods for mass transport problems based on a time-discrete incremental variational principle that combines entropy and the cost of particle transport, as measured by the Wasserstein…
This study aims to construct a stable, high-order compact finite difference method for solving Sobolev-type equations with Dirichlet boundary conditions in one-space dimension. Approximation of higher-order mixed derivatives in some…
We study Gutzwiller-correlated wave functions as variational ground states for the two-impurity Anderson model (TIAM) at particle-hole symmetry as a function of the impurity separation ${\bf R}$. Our variational state is obtained by…
In this paper, we propose a new formulation and a suitable finite element method for the steady coupling of viscous flow in deformable porous media using divergence-conforming filtration fluxes. The proposed method is based on the use of…
We design a variational asymptotic preserving scheme for the Vlasov-Poisson-Fokker-Planck system with the high field scaling, which describes the Brownian motion of a large system of particles in a surrounding bath. Our scheme builds on an…
In this paper we propose an explicit fully discrete scheme to numerically solve the stochastic Allen-Cahn equation. The spatial discretization is done by a spectral Galerkin method, followed by the temporal discretization by a tamed…
A variational approach, based on a discrete representation of the chain, is used to calculate free energy and conformational properties in polyelectrolytes. The true bond and Coulomb potentials are approximated by a trial isotropic harmonic…
The method of continuous unitary transformations (CUTs) is applied to the Anderson impurity and the Kondo model aiming at the systematic derivation of convergent effective models. If CUTs are applied in a conventional way, diverging…
We examine the localization properties of the Anderson Hamiltonian with additional off-diagonal disorder using the transfer-matrix method and finite-size scaling. We compute the localization lengths and study the metal-insulator transition…
Many physical problems such as Allen-Cahn flows have natural maximum principles which yield strong point-wise control of the physical solutions in terms of the boundary data, the initial conditions and the operator coefficients.…
Boltzmann transport problems often involve heavy streaming, where particles propagate long distance due to the dominance of advection over particle interaction. If an insufficiently refined non-rotationally invariant angular discretisation…
In this work, a new constrained hybrid variational deblurring model is developed by combining the non-convex first- and second-order total variation regularizers. Moreover, a box constraint is imposed on the proposed model to guarantee high…
This paper develops a robust angles-only IROD method based on polynomial optimization for arbitrary nonlinear dynamics. First, the relative motion is approximated by high-order Taylor polynomials within the differential algebra framework,…
We develop a new spatial semidiscrete multiscale method based upon the edge multiscale methods to solve semilinear parabolic problems with heterogeneous coefficients and smooth initial data. This method allows for a cheap spatial…
We develop a novel Hybrid High-Order method for the simulation of Darcy flows in fractured porous media. The discretization hinges on a mixed formulation in the bulk region and on a primal formulation inside the fracture. Salient features…
We present a new approach to calculate real-time quantum dynamics in complex systems. The formalism is based on the partitioning of a system's environment into "core" and "reservoir" modes, with the former to be treated quantum mechanically…