Related papers: Constructing approximate shell-model wavefunctions…
We present a comprehensive investigation of electron capture (EC) ratios spanning a broad range of atomic numbers. The study employs a self-consistent computational method that incorporates electron screening, electron correlations, overlap…
Despite the increasing use of deep learning in medical image segmentation, acquiring sufficient training data remains a challenge in the medical field. In response, data augmentation techniques have been proposed; however, the generation of…
A remarkable mathematical property -- somehow hidden and recently rediscovered -- allows obtaining the eigenvectors of a Hermitian matrix directly from their eigenvalues. That opens the possibility to get the wavefunctions from the…
Quantum subspace diagonalization (QSD) methods are quantum-classical hybrid methods, commonly used to find ground and excited state energies by projecting the Hamiltonian to a smaller subspace. In applying these, the choice of subspace…
Recently, ab initio techniques have been successfully connected to the traditional valence-space shell model. In doing so, they can either explicitly provide ab initio shell-model effective Hamiltonians or constrain the construction of…
Quantum computing is moving beyond its early stage and seeking for commercial applications in chemical and biomedical sciences. In the current noisy intermediate-scale quantum computing era, quantum resource is too scarce to support these…
We propose a new variational Monte Carlo (VMC) method with an energy variance extrapolation for large-scale shell-model calculations. This variational Monte Carlo is a stochastic optimization method with a projected correlated condensed…
An efficient algorithm for computing eigenvectors of a matrix of integers by exact computation is proposed. The components of calculated eigenvectors are expressed as polynomials in the eigenvalue to which the eigenvector is associated, as…
The Bethe-Salpeter eigenvalue problem is a dense structured eigenvalue problem arising from discretized Bethe-Salpeter equation in the context of computing exciton energies and states. A computational challenge is that at least half of the…
Networks significantly influence social, economic, and organizational outcomes, with centrality measures serving as crucial tools to capture the importance of individual nodes. This paper introduces Laplacian Eigenvector Centrality (LEC), a…
In this article we propose and numerically implement a mathematical model for the simulation of three-dimensional semiconductor devices characterized by an heterogeneous material structure. The model consists of a system of nonlinearly…
The projection of the eigenfunctions obtained in standard plane-wave first-principle electronic-structure calculations into atomic-orbital basis sets is proposed as a formal and practical link between the methods based on plane waves and…
Extreme Edge Computing (EEC) pushes computing even closer to end users than traditional Multi-access Edge Computing (MEC), harnessing the idle resources of Extreme Edge Devices (EEDs) to enable low-latency, distributed processing. However,…
In this paper we present a novel approach to FEL simulations based on the decomposition of the electromagnetic field in a finite number of radiation modes. The evolution of each mode amplitude is simply determined by energy conservation.…
We present a novel method for improving the quantum simulation of the ground state energy of molecules. We perform a pre-processing step classically, which reduces the dimensionality of the problem by generating a custom mapping which…
We apply a basis function expansion method to create a time-evolving density/potential approximation of the late growth of simulated N-body dark matter haloes. We demonstrate how the potential of a halo from the Aquarius Project can be…
Nowadays, we are witnessing the advent of the Internet of Things (EC) with numerous devices performing interactions between them or with end users. The huge number of devices leads to huge volumes of collected data that demand the…
This paper is concerned with the spectral properties of matrices associated with linear filters for the estimation of the underlying trend of a time series. The interest lies in the fact that the eigenvectors can be interpreted as the…
In this paper we describe the present status and our plans for the realization of next phases of the CalcPHEP project aimed at the theoretical support of experiments at modern and future accelerators: TEVATRON, LHC, electron Linear…
The solution of (generalized) eigenvalue problems for symmetric or Hermitian matrices is a common subtask of many numerical calculations in electronic structure theory or materials science. Solving the eigenvalue problem can easily amount…