Related papers: AMELI: Angular Matrix Elements of Lanthanide Ions
Embedded random matrix ensembles are generic models for describing statistical properties of finite isolated interacting quantum many-particle systems. For the simplest spinless systems, with say $m$ particles in $N$ single particle states…
Using some modification of the standard fermion technique we derive factorized formula for spin operator matrix elements (form-factors) between general eigenstates of the Hamiltonian of quantum Ising chain in a transverse field of finite…
This paper considers the iterative solution of linear systems arising from discretization of the anisotropic radiative transfer equation with discontinuous elements on the sphere. In order to achieve robust convergence behavior in the…
We present a high-accuracy procedure for electronic structure calculations of strongly correlated materials. To address limitations in current electronic structure methods, we employ density functional theory in combination with the…
SMUTHI is a python package for the efficient and accurate simulation of electromagnetic scattering by one or multiple wavelength-scale objects in a planarly layered medium. The software combines the T-matrix method for individual particle…
Leveraging ab initio data at scale has enabled the development of machine learning models capable of extremely accurate and fast molecular property prediction. A central paradigm of many previous works focuses on generating predictions for…
The design of large complex wave systems (filters, networks, vacuum-electronic devices, metamaterials, smart radio environments, etc.) requires repeated evaluations of the scattering parameters resulting from complex connections between…
For the coherently driven \Lambda-type three-level systems the general ready-to-calculate expression for the susceptibility tensor at the frequency of the weak probe field is obtained for the arbitrary polarization of the strong coupling…
This paper serves as our first effort to develop a new triangular spectral element method (TSEM) on unstructured meshes, using the rectangle-triangle mapping proposed in the conference note [21]. Here, we provide some new insights into the…
We devise an efficient algorithm for the symbolic calculation of irreducible angular momentum and spin (LS) eigenspaces within the $n$-fold antisymmetrized tensor product $\wedge^n V_u$, where $n$ is the number of electrons and $u =…
In exactly solvable quantum-mechanical systems, ladder and intertwining operators play a central role because, if they are found, the energy spectra can be obtained algebraically. In this paper, we propose the spectral intertwining relation…
For the investigation of higher order Feynman integrals, potentially with tensor structure, it is highly desirable to have numerical methods and automated tools for dedicated, but sufficiently 'simple' numerical approaches. We elaborate two…
Surface integral equations (SIEs)-based boundary element methods are widely used for analyzing electromagnetic scattering scenarii. However, after discretization of SIEs, the spectrum and eigenvectors of the boundary element matrices are…
Spatial numerical integration is essential for finite element analysis. Currently, numerical integration schemes, mostly based on Gauss quadrature, are widely used. Herein, we present an alternative semi-analytical approach for mass matrix…
This work describes the fully analytical method for calculation of the molecular integrals over Slater-type orbitals with non-integer principal quantum numbers. These integrals are expressed through relativistic molecular auxiliary…
Atom interferometers are sensitive to a wide range of forces by encoding their signals in interference patterns of matter waves. To estimate the magnitude of these forces, the underlying phase shifts they imprint on the atoms must be…
Using the multipole expansion of electromagnetic (EM) field, we present the angular magnetoelectric (AME) coupling in irreducible tensor form. We evaluate the matrix elements when the radiation source is described by electronic transitions…
We employ {PhysMaster}, an autonomous agentic AI system integrating theoretical reasoning, numerical computation, and exploitation strategies towards ultra-long horizon automation, to tackle long-standing challenges in non-perturbative…
We present a simple and efficient method to incorporate anharmonic effects in the vibrational \textcolor{black}{analyses} of molecules within density functional theory (DFT) calculations. This approach is closely related to the traditional…
We present a general methodology to evaluate matrix elements of the effective core potentials (ECPs) within one-electron basis set of Slater-type orbitals (STOs). The scheme is based on translation of individual STO distributions in the…