Related papers: Filter diagonalization of shell-model calculations
In this paper, we study the problem of estimating the state of a dynamic state-space system where the output is subject to quantization. We compare some classical approaches and a new development in the literature to obtain the filtering…
Today there are a plethora of many-body techniques for calculating nuclear wave functions and matrix elements. I review the status of that reliable workhorse, the interacting shell model, a.k.a. configuration-interaction methods, a.k.a.…
We report a linear-scaling random Green's function (rGF) method for large-scale electronic structure calculation. In this method, the rGF is defined on a set of random states to stochastically express the density matrix, and rGF is…
The spectral transformation Lanczos method for the sparse symmetric definite generalized eigenvalue problem for matrices $A$ and $B$ is an iterative method that addresses the case of semidefinite or ill conditioned $B$ using a shifted and…
The one-hole spectral weight for two chains and two dimensional lattices is studied numerically using a new method of analysis of the spectral function within the Lanczos iteration scheme: the Lanczos spectra decoding method. This technique…
We examine the accuracy of the microcanonical Lanczos method (MCLM) developed by Long, {\it et al.} [Phys. Rev. B {\bf 68}, 235106 (2003)] to compute dynamical spectral functions of interacting quantum models at finite temperatures. The…
We introduce a novel method within the shell model Monte Carlo approach to calculate the ground-state energy of a finite-size system with an odd number of particles by using the asymptotic behavior of the imaginary-time single-particle…
Solving the Kohn-Sham eigenvalue problem constitutes the most computationally expensive part in self-consistent density functional theory (DFT) calculations. In a previous paper, we have proposed a nonlinear Chebyshev-filtered subspace…
The one-dimensional harmonic oscillator in a box problem is used to introduce the concept of an oblique-basis shell-model theory. The method is applied to nuclei by combining traditional spherical shell-model states with SU(3) collective…
Two numerical algorithms for the computation of eigenvalues of Dirac operators in lattice gauge theories are described: one is an accelerated conjugate gradient method, the other one a standard Lanczos method. Results obtained by Cullum's…
We present a new approach to study the properties of the sun. We consider small variations of the physical and chemical properties of the sun with respect to Standard Solar Model predictions and we linearize the structure equations to…
We present a new methodology to solve the Anderson impurity model, in the context of dynamical mean-field theory, based on the exact diagonalization method. We propose a strategy to effectively refine the exact diagonalization solver by…
Performing shell model calculations for heavy nuclei is a long-standing problem in nuclear physics. The shell model truncation in the configuration space is an unavoidable step. The Projected Shell Model (PSM) truncates the space under the…
We utilize the Shell Model Monte Carlo (SMMC) method to study the structure of rare earth nuclei. This work demonstrates the first systematic ``full oscillator shell plus intruder'' calculations in such heavy nuclei. Exact solutions of a…
We introduce a predictor-corrector discretisation scheme for the numerical integration of a class of stochastic differential equations and prove that it converges with weak order 1.0. The key feature of the new scheme is that it builds up…
We propose an adaptive planewave method for eigenvalue problems in electronic structure calculations. The method combines a priori convergence rates and accurate a posteriori error estimates into an effective way of updating the energy…
The $J$-matrix inverse scattering approach can be used as an alternative to a conventional $R$-matrix in analyzing scattering phase shifts and extracting resonance energies and widths from experimental data. A great advantage of the…
In this study, we have performed a detailed investigation of the electronic properties of a core/shell/well/shell multi-layered spherical quantum dot, such as energy eigenvalues, wave functions, electron probability distribution and binding…
We describe preconditioned iterative methods for estimating the number of eigenvalues of a Hermitian matrix within a given interval. Such estimation is useful in a number of applications.In particular, it can be used to develop an efficient…
In this work we demonstrate that SVD-based model reduction techniques known for ordinary differential equations, such as the proper orthogonal decomposition, can be extended to stochastic differential equations in order to reduce the…