Related papers: Algorithm to compute the electric field gradient t…
An electron density functional approach for the calculation of the nuclear multipole moments is presented. The electronic matrix elements entering the experimentally observed hyperfine electron-nucleus interaction constants in atoms are…
We propose to apply several gradient estimation techniques to enable the differentiation of programs with discrete randomness in High Energy Physics. Such programs are common in High Energy Physics due to the presence of branching processes…
We propose a quantum sensor for electric fields based on networks of Rydberg atoms. The sensing mechanism exploits the strong dependence of the Rydberg blockade on the applied electric field near a F\"orster resonance. In this regime,…
The processes with three or more charged particles in the final state exhibit particular threshold behavior, as inferred by the famous Wannier law for (2e + ion) system. We formulate a general solution which determines the threshold…
Splitting the energy levels of a hydrogen-like atom by the electric field nonuniform at the atomic scale is studied. This situation is important for the multi-level treatment of the phenomenon of Rydberg blockade [Yu.V. Dumin, J. Phys. B,…
In this article a group-theoretical aspect of the method of dimensional reduction is presented. Then, on the base of symmetry analysis for an anisotropic space geometrical description of dimensional reduction of equation for scalar field is…
We present a theoretical method for calculating multiphoton ionization amplitudes and cross sections of few-electron atoms. The present approach is based on an extraction of partial wave amplitudes from a scattering wave function, which is…
Fast estimation of the single-particle density matrix is key to many applications in quantum chemistry and condensed matter physics. The best numerical methods leverage the fact that the density matrix elements $f(H)_{ij}$ decay rapidly…
We present a two-dimensional classical stochastic differential equation for a displacement field of a point particle in two dimensions and show that its components define real and imaginary parts of a complex field satisfying the…
Electron-impact ionization cross sections of atoms and molecules are essential for plasma modelling. However, experimentally determining the absolute cross sections is not easy, and ab initio calculations become computationally prohibitive…
We calculate the hydrogen molecule ion from the two particle Schr"odinger equation. Therefore a very simple two particle basis set is chosen. We suggest this ansatz to be used to solve the "two electron one phonon" three particle…
Modern E(3)-Equivariant networks may be used to predict rotationally equivariant properties, including tensorial quantities. Three such quantities: the dielectric, piezoelectric, and elasticity tensors, are computationally expensive to…
Several quantities important in condensed matter physics, quantum information, and quantum chemistry, as well as quantities required in meta-optimization of machine learning algorithms, can be expressed as gradients of implicitly defined…
In this tutorial paper, we formulate a two-dimensional integral-equation based method of moments approach for numerically computing the electromagnetic fields scattered from an azimuthally-rough dielectric cylinder or an axially-rough…
Ionic liquid ion sources are a promising technology that can be used for many applications from space propulsion to focused ion beam microetching. Ionic liquid ion sources produce ion beams by extracting single ions and metastable solvated…
We describe an algorithm for using a quantum computer to calculate mean values of observables and the partition function of a quantum system. Our algorithm includes two sub-algorithms. The first sub-algorithm is for calculating, with…
We introduce an accurate, self-contained and automatic atom based numerical algorithm to characterize grain distributions in two dimensional Phase Field Crystal simulations. Four input parameters must be set by the user and their effect is…
We present a new method for computing the Near-To-Far-Field (NTFF) transformation in FDTD simulations which has an overall scaling of $O(N^3)$ instead of the standard $O(N^4)$. By mapping the far field with a cartesian coordinate system the…
In the finite difference method which is commonly used in computational micromagnetics, the demagnetizing field is usually computed as a convolution of the magnetization vector field with the demagnetizing tensor that describes the…
We utilize the gradient flow to define and calculate electric dipole moments induced by the strong QCD $\theta$-term and the dimension-6 Weinberg operator. The gradient flow is a promising tool to simplify the renormalization pattern of…