Related papers: Filter diagonalization of shell-model calculations
We present GW calculations of molecules, ordered and disordered solids and interfaces, which employ an efficient contour deformation technique for frequency integration, and do not require the explicit evaluation of virtual electronic…
We demonstrate that the use of on-shell methods, involving calculation of the discontinuity across the t-channel cut associated with the exchange of a pair of massless particles, can be used to evaluate loop contributions to both the…
We present a model problem for benchmarking codes that investigate magma migration in the Earth's interior. This system retains the essential features of more sophisticated models, yet has the advantage of possessing solitary wave…
We review results obtained using Shell Model Monte Carlo (SMMC) techniques. These methods reduce the imaginary-time many-body evolution operator to a coherent superposition of one-body evolutions in fluctuating one-body fields; the…
The generalized pseudospectral method is employed for the accurate calculation of eigenvalues, densities and expectation values for the spiked harmonic oscillators. This allows \emph{nonuniform} and \emph{optimal} spatial discretization of…
The self-healing diffusion Monte Carlo algorithm (SHDMC) [Reboredo, Hood and Kent, Phys. Rev. B {\bf 79}, 195117 (2009); Reboredo, {\it ibid.} {\bf 80}, 125110 (2009)] is extended to study the ground and excited states of magnetic and…
In this work, we focus on the family of shell formulations referred to as "solid shells", where the simulation of shell-type structures is performed by means of a mesh of 3D solid elements, with typically only one element through the…
We propose a new optimized phonon approach for the numerical diagonalization of interacting electron-phonon systems combining density-matrix and Lanczos algorithms. We demonstrate the reliablity of this approach by calculating the phase…
We demonstrate that the use of analytical on-shell methods involving calculation of the discontinuity across the t-channel cut associated with the exchange of a pair of massless particles (photons or gravitons) can be used to evaluate…
An approximate diagonalization method is proposed that combines exact diagonalization and perturbation expansion to calculate low energy eigenvalues and eigenfunctions of a Hamiltonian. The method involves deriving an effective Hamiltonian…
The spectral decomposition of a real skew-symmetric matrix $A$ can be mathematically transformed into a specific structured singular value decomposition (SVD) of $A$. Based on such equivalence, a skew-symmetric Lanczos bidiagonalization…
In this paper, we study a conjugate gradient method for electronic structure calculations. We propose a Hessian based step size strategy, which together with three orthogonality approaches yields three algorithms for computing the ground…
This work focuses on developing high-order energy-stable schemes for wave-dominated problems in closed domains using staggered finite-difference summation-by-parts (SBP FD) operators. We extend the previously presented uniform staggered…
This paper proposes a new technique for computer modeling linear filters based on the spectral form of mathematical description of linear systems. It assumes the representation of input and output signals of the filter as orthogonal…
While the shell model Monte Carlo approach has been successful in the microscopic calculation of nuclear state densities, it has been difficult to calculate accurately state densities of odd-even heavy nuclei. This is because the projection…
A new approach for calculating spectral density functions of strongly correlated electron systems is proposed within the exact diagonalization method of dynamical mean-field theory (DMFT). This approach is based on the analytic continuation…
A recently proposed linear-scaling scheme for density-functional pseudopotential calculations is described in detail. The method is based on a formulation of density functional theory in which the ground state energy is determined by…
This paper proposed a model predictive control (MPC) secondary frequency control method considering wind and solar power generation stochastics. The extended state-space matrix including unknown stochastic power disturbance is established,…
Characteristic modes of a spherical shell are found analytically as spherical harmonics normalized to radiate unitary power and to fulfill specific boundary conditions. The presented closed-form formulas lead to a proposal of precise…
We revisit the collocation method of Manzhos and Carrington (J. Chem. Phys. 145, 224110, 2016) in which a distributed localized (e.g., Gaussian) basis is used to set up a generalized eigenvalue problem to compute the eigenenergies and…