Related papers: Scalar relativistic effects with Multiwavelets: Im…
MRChem is a code for molecular electronic structure calculations, based on a multiwavelet adaptive basis representation. We provide a description of our implementation strategy and several benchmark calculations. Systems comprising more…
A generally applicable approach for the calculation of relativistic one-electron properties with two-component wave functions is presented. The formalism is explicitly evaluated for the example of quasi-relativistic wavefunctions obtained…
We analyze relativistic effects in transverse momentum using Quantum Molecular Dynamics [QMD] and its covariant extension Relativistic Quantum Molecular Dynamics [RQMD]. The strength of the relativistic effects is found to increase with the…
The dark matter scattering with atomic bound electrons is a crucial avenue for exploring the sub-GeV mass range. If not handled properly, even negative values can arise in the scattering matrix element squared or equivalently the…
In this chapter we focus first on the theoretical methods and relevant computational approaches to calculate the electronic structure of atoms, molecules, and clusters containing heavy elements for which relativistic effects become…
The parity violating longitudinal asymmetry ${\cal A}$ is calculated for quasielastic electron scattering. We use a variety of relativistic mean field models for the response of nuclear matter and $^{12}$C at a momentum transfer of q=550…
We discuss the application of a relativistic potential model to the description of the spectrum and radiative transitions in mesons containing at least one heavy quark (b or c). Although the model has a small number of parameters, it is…
For molecules and solids containing heavy elements, accurate electronic structure calculations require accounting not only for electronic correlations but also for relativistic effects. In molecules, relativity can lead to severe changes in…
Charged-current cross sections are calculated for quasielastic neutrino and antineutrino scattering using a relativistic meson-nucleon model. We examine how nuclear-structure effects, such as relativistic random-phase-approximation (RPA)…
The quantum electrodynamic theory of the nuclear recoil effect in atoms to all orders in \alpha Z and to first order in m/M is considered. The complete \alpha Z - dependence formulas for the relativistic recoil corrections to the atomic…
High energy lepton scattering has been the primary tool for mapping out the quark distributions of nucleons and nuclei. Data on the proton and deuteron have shown that there is a fundamental connection between the low and high energy…
We demonstrate, for the first time, that neural scaling laws can deliver near-exact solutions to the many-electron Schr\"odinger equation across a broad range of realistic molecules. This progress is enabled by the Lookahead Variational…
A fully analytical description of the allowed $\beta$ spectrum shape is given in view of ongoing and planned measurements. Its study forms an invaluable tool in the search for physics beyond the standard electroweak model and the weak…
Electrons in materials containing heavy elements are fundamentally relativistic and should in principle be described using the Dirac equation. However, the current standard for treatment of electrons in such materials involves density…
This article reviews recent developments in multiresolution analysis which make it a powerful tool for the systematic treatment of the multiple length-scales inherent in the electronic structure of matter. Although the article focuses on…
Recently we showed that while the tensor force plays an important role in nuclear matter saturation in non-relativistic studies, it does not do so in relativistic studies. The reason behind this is the role of $M^*$, the sum of nucleon mass…
In this thesis different numerical methods, as well as applications of the methods to a number of current problems in relativistic astrophysics, are presented. In the first part the theoretical foundation and numerical implementation of a…
New techniques in core-electron spectroscopy are necessary to resolve the structures of oxides of $f$-elements and other strongly correlated materials that are present only as powders and not as single crystals. Thus, accurate quantum…
Quantum computation is one of the most promising new paradigms for the simulation of physical systems composed of electrons and atomic nuclei, with applications in chemistry, solid-state physics, materials science, and molecular biology.…
Multicomponent methods are a conceptually simple way to include nuclear quantum effects into quantum chemistry calculations. In multicomponent methods, the electronic molecular orbitals are described using the linear combination of atomic…