相关论文: PyCrystalField: Software for Calculation, Analysis…

We review some aspects of harmonic analysis for the Euclidean conformal group, including conformally-invariant pairings, the Plancherel measure, and the shadow transform. We introduce two efficient methods for computing these quantities:…

Modern precision experiments trapping low-energy particles require detailed simulations of particle trajectories and spin precession to determine systematic measurement limitations and apparatus deficiencies. We developed PENTrack, a tool…

Easy Parameter Inference in Cosmology (EPIC) is another Markov Chain Monte Carlo (MCMC) sampler for Cosmology. It is implemented in Python and provides Bayesian parameter inference and model comparison based on the Bayesian evidence. The…

We estimate the impact of asymmetry measurements of Deeply Virtual Compton Scattering (DVCS) with transversely polarized proton beam taken at a future Electron Ion Collider in China (EicC) on the extraction of Compton Form Factors (CFFs).…

This contribution examines the capabilities of the Python ecosystem to solve nonlinear energy minimization problems, with a particular focus on transitioning from traditional MATLAB methods to Python's advanced computational tools, such as…

Stellar atmosphere modelling predicts the luminosity and temperature of a star, together with parameters such as the effective gravity and the metallicity, by reproducing the observed spectral energy distribution. Most observational data…

Using the numerical renormalization group method, we investigate an extended Anderson model, in which correlated electrons with the $\Gamma_1$(singlet)-$\Gamma4$(triplet) f$^2$ crystalline-electric-field (CEF) configuration hybridize with…

We present the Tight-Binding Studio (TBStudio) software package for calculating tight-binding Hamiltonian from a set of Bloch energy bands obtained from first principle theories such as density functional theory, Hartree-Fock calculations…

A method for computing lower bounds to eigenvalues of sums of lower semibounded self-adjoint operators is presented. We apply the method to one-electron Hamiltonians. To improve the lower bounds we consider symmetry of molecules and use…

Crystal Toolkit is an open source tool for viewing, analyzing and transforming crystal structures, molecules and other common forms of materials science data in an interactive way. It is intended to help beginners rapidly develop web-based…

Precise knowledge of a quantum system's Hamiltonian is a critical pre-requisite for its use in many quantum information technologies. Here, we report a method for the precise characterization of the non-secular part of the excited-state…

Crystal structures are characterized by atomic bases within a primitive unit cell that repeats along a regular lattice throughout 3D space. The periodic and infinite nature of crystals poses unique challenges for geometric graph…

We use high-resolution angle-resolved photoemission spectroscopy to investigate the electronic structure of the antiferromagnetic heavy fermion compound CePt2In7, which is a member of the CeIn3-derived heavy fermion material family. Weak…

We present the EpIC Monte Carlo event generator for exclusive processes sensitive to generalised parton distributions. EpIC utilises the PARTONS framework, which provides a flexible software architecture and a variety of modelling options…

Constructing a quantum description of crystals from scattering experiments is of paramount importance to explain their macroscopic properties and to evaluate the pertinence of theoretical ab-initio models. While reconstruction methods of…

We present the implementation of a variational finite element solver in the HelFEM program for benchmark calculations on diatomic systems. A basis set of the form $\chi_{nlm}(\mu,\nu,\phi)=B_{n}(\mu)Y_{l}^{m}(\nu,\phi)$ is used, where…

We introduce ELECTRAFI, a fast, end-to-end differentiable model for predicting periodic charge densities in crystalline materials. ELECTRAFI constructs anisotropic Gaussians in real space and exploits their closed-form Fourier transforms to…

A coherent state technique is used to generate an Interacting Boson Model (IBM) Hamiltonian energy surface that simulates a mean field energy surface. The method presented here has some significant advantages over previous work.…

The availability of computational modeling tools for subatomic physics (Form, FeynArts, FormCalc, and FeynCalc) has made it possible to perform sophisticated calculations in perturbative quantum field theory. We have adapted these packages…

There has been debate around applicability of exceptional points (EP) for quantum sensing. To resolve this, we first explore how to experimentally implement the nonhermitian non-diagonalizable Hamiltonians, that exhibit EPs, in quantum…