Related papers: Extended Recursion in Operator Space (EROS), a new…
Using NRG, we show that a system containing a quantum impurity (QI), strongly coupled to a semiconductor (gap $2 \Delta$) and weakly coupled to a metal, displays a 'reentrant' Kondo stage at low temperatures. The NRG analysis of the…
Perturbative schemes utilizing a spectral moment expansion are well known and extensively used for investigating the physics of model Hamiltonians and real material systems. The advantages they offer, in terms of being computationally…
The general procedure underlying Hartree-Fock and Kohn-Sham density functional theory calculations consists in optimizing orbitals for a self-consistent solution of the Roothaan-Hall equations in an iterative process. It is often ignored…
We develop a method for calculating the self-energy of a quantum impurity coupled to a continuous bath by stochastically generating a distribution of finite Anderson models that are solved by exact diagonalization, using the noninteracting…
Hamiltonian Operator Inference has been introduced in [Sharma, H., Wang, Z., Kramer, B., Physica D: Nonlinear Phenomena, 431, p.133122, 2022] to learn structure-preserving reduced-order models (ROMs) for Hamiltonian systems. This approach…
In the Hartree-Fock approximation the Pauli exclusion principle leads to a Schroedinger Eq. of an integro-differential form. We describe a new spectral noniterative method (S-IEM), previously developed for solving the Lippman-Schwinger…
This work has been submitted to the IEEE for possible publication. Copyright may be transferred without notice, after which this version may no longer be accessible. Numerous renowned algorithms for tackling the compressed sensing problem…
We presented a new 3D refinement method for Cryo-EM single particle analysis which can improve the resolution of final electron density map in this paper. We proposed to enforce both sparsity and smoothness to improve the regularity of…
In this paper a fast impurity solver is proposed for dynamical mean field theory (DMFT) based on a decoupling of the equations of motion for the impurity Greens function. The resulting integral equations are solved efficiently with a method…
In this article we formulate the superperturbation theory for the Anderson impurity model on the real axis. The resulting impurity solver allows to evaluate dynamical quantities without numerical analytical continuation by the maximum…
We analyze the ground-state energy, magnetization, magnetic susceptibility, and Kondo screening cloud of the symmetric single-impurity Anderson model (SIAM) that is characterized by the band width $W$, the impurity interaction strength $U$,…
We present a Gaussian-basis implementation of orbital-free density-functional theory (OF-DFT) in which the trust-region image method (TRIM) is used for optimization. This second-order optimization scheme has been constructed to provide…
We analyze and test using Fourier extensions that minimize a Hilbert space norm for the purpose of solving partial differential equations (PDEs) on surfaces. In particular, we prove that the approach is arbitrarily high-order and also show…
By means of a projector-operator formalism we derive an approximation based on a self consistent hybridization expansion to study the ground state properties of the Anderson Impurity model. We applied the approximation to the general case…
This work proposes novel techniques for the efficient numerical simulation of parameterized, unsteady partial differential equations. Projection-based reduced order models (ROMs) such as the reduced basis method employ a (Petrov-)Galerkin…
Subspace-based signal processing techniques, such as the Estimation of Signal Parameters via Rotational Invariant Techniques (ESPRIT) algorithm, are popular methods for spectral estimation. These algorithms can achieve the so-called…
The Anderson impurity model (AIM) is of fundamental importance in condensed matter physics to study strongly correlated effects. However, accurately solving its long-time dynamics still remains a great numerical challenge. An emergent and…
We use the numerical renormalization group method to study an Anderson impurity in a conduction band with the density of states varying as rho(omega) \propto |omega|^r with r>0. We find two different fixed points: a local-moment fixed point…
We introduce \texttt{featom}, an open source code that implements a high-order finite element solver for the radial Schr\"odinger, Dirac, and Kohn-Sham equations. The formulation accommodates various mesh types, such as uniform or…
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…