Related papers: The application of the M"obius inversion formula t…
Precise control of quantum particles is required for many interesting or novel experiments. Here we consider the task of transporting an atom using an external harmonic potential from one well of an optical lattice to another without…
We present simplified formulae for the analytic integration of the Newton potential of polynomials over boxes in two- and three-dimensional space. These are implemented in an easy-to-use C++ library that allows computations in arbitrary…
We present a new interatomic potential for water captured in a charge-transfer embedded atom method (EAM) framework. The potential accounts for explicit, dynamical charge transfer in atoms as a function of the local chemical environment. As…
We introduce a new class of machine learning interatomic potentials - fast General Two- and Three-body Potential (GTTP), which is as fast as conventional empirical potentials and require computational time that remains constant with…
An efficient real space method is derived for the evaluation of the Madelung's potential of ionic crystals. The proposed method is an extension of the Evjen's method. It takes advantage of a general analysis for the potential convergence in…
Quantum-mechanically-driven charge polarization and charge transfer are ubiquitous in biomolecular systems, controlling reaction rates, allosteric interactions, ligand-protein binding, membrane transport, and dynamically-driven structural…
The standard experimental techniques usually adopted in the study of the behaviour of ultracold atoms in optical lattices involve extracting the atom density profile from absorption images of the atomic sample after trap release. Quantum…
A new technique is described by which light-induced gauge potentials allow systems of ultra-cold neutral atoms to behave like charged particles in a magnetic field. Here, atoms move in a uniform laser field with a spatially varying Zeeman…
We propose an experimentally feasible method to generate a one-dimensional optical lattice potential in an ultracold Bose gas system that depends on the transverse momentum of the atoms. The optical lattice is induced by the artificial…
Using the optimized effective potential method in conjunction with the semi-analytical approximation due to Krieger, Li and Iafrate, we have performed fully self-consistent exact exchange-only density-functional calculations for diatomic…
Machine learning interatomic potentials (MLIPs) based on a large dataset obtained by density functional theory (DFT) calculation have been developed recently. This study gives both conceptual and practical bases for the high accuracy of…
We formulate statistical-mechanical inverse methods in order to determine optimized interparticle interactions that spontaneously produce target many-particle configurations. Motivated by advances that give experimentalists greater and…
We observe that the linear potential used as a leading approximation for describing color confinement in the instant form of dynamics corresponds to a quadratic confining potential in the front form of dynamics. In particular, the…
In an attempt to test the possibility of solving the inverse problem for liquid metals i.e. obtaining the effective pair potential from the experimental structure factor, we solve the modified Hypernetted-Chain Integral equation for liquid…
We propose a method to probe the local density of states (LDOS) of atomic systems that provides both spatial and energy resolution. The method combines atomic and tunneling techniques to supply a simple, yet quantitative and operational,…
A new method for calculating the total energy of Si systems is presented. The method is based on the effective-medium theory concept of a reference system. Instead of calculating the energy of an atom in the system of interest a reference…
We introduce a direct Boltzmann inversion method to infer the interaction potential in particle systems using as input particle configurations generated at an arbitrary state point of the system. Unlike iterative Boltzmann inversion, the…
The coefficients of interatomic potential of simple form Exp-6 for neon are obtained. Repulsive part is calculated ab-initio in the Hartree-Fock approximation using the basis of atomic orbitals orthogonalized exactly on different lattice…
It is now straightforward to carry out S-matrix to potential inversion over a very wide range of energies and for a wide range of projectile-target combinations. Inversion is possible in many cases involving spin. IP inversion also permits…
In this research paper, we present an exact matrix form analytical solution of the multi-dimensional generalized Langevin equation with quadratic potentials. Our investigation provides detailed expressions for the two-dimensional…