相关论文: SIMPRE: Installation and User Manual

We performed an optical spectroscopy study of electronic and magnetic excitations for a rare-earth system with a single electron quasi-localized in the f-shell on an ion at high-symmetry crystallographic site in application to CeB$_{6}$…

We present a new pseudospectral algorithm for the calculation of the structure of atoms in strong magnetic fields. We have verified this technique for one, two and three-electron atoms in zero magnetic fields against laboratory results and…

We present a FORTRAN 77 code for evaluation of resonance pole positions and residues of a numerical scattering matrix element in the complex energy (CE) as well as in the complex angular momentum (CAM) planes. Analytical continuation of the…

Electric fields can be used to tune donor spins in silicon using the Stark shift, whereby the donor electron wave function is displaced by an electric field, modifying the hyperfine coupling between the electron spin and the donor nuclear…

We introduce a first-principles method for predicting the magnetothermal properties of solid-state materials, which we call Sampled Effective Local Field Estimation. This approach achieves over two orders of magnitude improvement in sample…

Random Phase Approximation (RPA) is the basic method for calculation of excited states of nuclei over the Hartree-Fock ground state, suitable also for energy density functionals (EDF or DFT). We developed a convenient formalism for…

We have developed a symmetry-adapted modeling procedure for molecules and crystals. By using the completeness of multipoles to express spatial and time-reversal parity-specific anisotropic distributions, we can generate systematically the…

We fully support the interpretation of Prof. F. Steglich, reported recently in Phys. Rev. Lett. 91 (2003)156401, that the observed \textit{below} Kondo temperature, Electron Spin Resonance (ESR) in a heavy fermion metal YbRh2Si2 is…

We present the python package DiPolMol-Py, which can be used to calculate the rotational and hyperfine structure of $^2\Sigma$ molecules. The calculations can be performed in the presence of dc magnetic fields, dc electric fields and far…

One of the main ingredients in nuclear structure studies using shell model are the single-particle energy (spe). In order to obtain these values accurately, experimental data is needed. The region around the doubly magic nuclide 100Sn is…

In this study, the sol-gel method synthesized the magnetic measurement and analysis of single-phase polycrystalline perovskite DyFe1-xCrxO3 (DFCO). The experimental data were fitted and calculated by a four-sublattice molecular field model.…

Conventional methods to calculate the thermodynamics of crystals evaluate the harmonic phonon spectra and therefore do not work in frequent and important situations where the crystal structure is unstable in the harmonic approximation, such…

We present a concrete model of a low energy effective field theory of QCD, the well-known Skyrme Model. Specifically, we will work with the BPS submodel in order to describe the binding energies of nuclei. This BPS Skyrme model is…

We present a method for parametric modelling of the physical components of the Galaxy's magnetised interstellar medium, simulating the observables, and mapping out the likelihood space using a Markov Chain Monte-Carlo analysis. We then…

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 present Phantom, a fast, parallel, modular and low-memory smoothed particle hydrodynamics and magnetohydrodynamics code developed over the last decade for astrophysical applications in three dimensions. The code has been developed with a…

Stellar spectral interpolation is critical technique employed by fitting software to derive the physical parameters of stars. This approach is necessary because on-the-go generation of synthetic stellar spectra is not possible due to the…

The calculation of (co)irreducible representations of energy bands at high-symmetry points (HSPs) is essential for high-throughput research on topological materials based on symmetry-indicators or topological quantum chemistry. However,…

We present two independent optical methods for absolute primary thermometry using rare-earth-doped nanoparticles. Both approaches rely exclusively on the internal energy levels and population dynamics of the dopant ions, eliminating the…

It is crucial to have a good phenomenological model of electronic stopping power for modeling the physics of ion implantation into crystalline silicon. In the spirit of the Brandt-Kitagawa effective charge theory, we develop a model for…