Related papers: Pseudospectral methods for atoms in strong magneti…
We present a new method for nanoscale atom lithography. We propose the use of a supersonic atomic beam, which provides an extremely high-brightness and cold source of fast atoms. The atoms are to be focused onto a substrate using a thin…
This paper outlines a numerical algorithm that could be used for simulating full 3D dynamics of magnetic fluid droplet shapes in external magnetic fields, by solving boundary integral equations. The algorithm works with arbitrary droplet…
With increasing energy the diamagnetic hydrogen atom undergoes a transition from regular to chaotic classical dynamics, and the closed orbits pass through various cascades of bifurcations. Closed orbit theory allows for the semiclassical…
Highly accurate measurements of quantum level energies in molecular systems provide a test ground for new physics, as such effects could manifest themselves as minute shifts in the quantum level structures of atoms and molecules. For the…
We present ultra-fast quantum chemical methods for the calculation of infrared and ultraviolet-visible spectra designed to provide fingerprint information during autonomous and interactive explorations of molecular structures.…
Extrapolations of soft scalar mass parameters in supersymmetric theories can be used to explore elements of the physics scenario near the grand unification scale. We investigate the potential of this method in the lepton sector of SO(10)…
The states of hydrogen atom with principal quantum number n <= 3 and zero magnetic quantum number in constant homogeneous magnetic field H are considered. The perturbation theory series is summed with the help of Borel transformation and…
Classical algorithms for predicting the equilibrium geometry of strongly correlated molecules require expensive wave function methods that become impractical already for few-atom systems. In this work, we introduce a variational quantum…
Complex spin-spin interactions in magnets can often lead to magnetic superlattices with complex local magnetic arrangements, and many of the magnetic superlattices have been found to possess non-trivial topological electronic properties.…
Atomic-scale characterization of spin textures in solids is essential for understanding and tuning properties of magnetic materials and devices. While high-energy electrons are employed for atomic-scale imaging of materials, they are…
We use recently developed efficient versions of the configuration interaction method to perform {\em ab initio} calculations of the spectra of superheavy elements seaborgium (Sg, $Z=106$), bohrium (Bh, $Z=107$), hassium (Hs, $Z=108$) and…
We present the experimental generation of large effective magnetic fields for ultracold atoms using photon-assisted tunneling in an optical superlattice. The underlying method does not rely on the internal structure of the atoms and…
Neutral atoms may be trapped via the interaction of their magnetic dipole moment with magnetic field gradients. One of the possible schemes is the cloverleaf trap. It is often desirable to have at hand a fast and precise technique for…
In density functional theory, charge density is the core attribute of atomic systems from which all chemical properties can be derived. Machine learning methods are promising in significantly accelerating charge density prediction, yet…
Closed-form, analytical approximations for electrostatic properties of molecules are of unique value, as these can provide computational speed, versatility, and physical insight. Here, we derive a simple, closed-form formula for the…
In the last years, chiral effective field theory has been successfully developed for and applied to systems with few nucleons. Here, I present a new approach for ab initio calculations of nuclei that combines these precise and systematic…
The need for accurate calculations on atoms and diatomic molecules is motivated by the opportunities and challenges of such studies. The most commonly-used approach for all-electron electronic structure calculations in general - the linear…
We propose approximate and accurate formulas for the number of electron configurations in hot plasmas. Such a quantity is an ingredient of algorithms devoted to the generation of configurations or superconfigurations, which is a…
We present a time-dependent framework that combines a hybrid Gaussian-FEDVR basis with a multicenter grid to simulate strong-field and attosecond dynamics in atoms and molecules. The method incorporates the construction of the orthonormal…
Most modern calculations of many-electron atoms use basis sets of atomic orbitals. An accurate account for the electronic correlations in heavy atoms is very difficult computational problem and optimization of the basis sets can reduce…