Related papers: Total angular momentum representation for atom-mol…
Evaluating multi-center molecular integrals with Cartesian Gaussian-type basis sets has been a long-standing bottleneck in electronic structure theory calculation for solids and molecules. We have developed a vector-coupling and…
Momentum distribution of fragments produced in 12C+12C reaction at 28.7 MeV/nucleon is analyzed with antisymmetrized version of molecular dynamics (AMD). Calculations are made for several cases of stochastic collisions and the projectile…
In systems of ultracold atoms, pairwise interactions are resonantly enhanced by the application of an oscillating magnetic field that is parallel to the spin-quantization axis of the atoms. The resonance occurs when the frequency of the…
Core-polarization interactions are investigated in low-energy electron elastic scattering from the atoms In,Sn,Eu,Au and At through the calculation of their electron affinities. The complex angular momentum method wherein is embedded the…
Quantum protocols will be more efficient with high-dimensional entangled states. Photons carrying orbital angular momenta can be used to create a high-dimensional entangled state. In this paper we experimentally demonstrate the entanglement…
The complex angular momentum (CAM) calculated low-energy 0 < E < 5 eV electron elastic total cross section (TCS) for In is benchmarked through its recently measured electron affinity (Walter et al, Phys. Rev. A 82, 032507 (2010)). The TCSs…
We have investigated plasma-surface interactions with molecular dynamics (MD) simulations. It, however, is high cost computation and is limited to simulations for materials of nanometer order. In order to overcome the limitation, a…
In this paper we propose an ab initio method to solve quantum many-body problems of molecular dynamics where both the electronic and the nuclear degrees are represented by ensembles of trajectories and guiding waves in physical space. Both…
Multichannel quantum defect theory (MQDT) has been widely applied to resonant and non-resonant scattering in a variety of atomic collision processes. In recent years, the method has been applied to cold collisions with considerable success,…
Experiments are starting to probe collisions and chemical reactions between atoms and molecules at ultra-low temperatures. We have developed a new theoretical procedure for studying these collisions using the R-matrix method. Here this…
Recently, a new approach for solving the three-body problem for (d,p) reactions in the Coulomb-distorted basis in momentum space was proposed. Important input quantities for such calculations are the scattering matrix elements for proton-…
Atomic layer deposition allows for precise control over film thickness and conformality. It is a critical enabler of high aspect ratio structures, such as 3D NAND memory, since its self-limiting behavior enables higher conformality than…
We study one-dimensional elastic collisions of three point masses on a line under vacuum, with no triple collisions. We express momentum conservation in matrix form and analyze the composite map $D=D_{BC}D_{AB}$ and its powers $D^k$, which…
We propose a highly efficient and fast method of translational cooling for high-angular-momentum atoms. Optical pumping and stimulated transitions, combined with magnetic forces, can be used to compress phase-space density, and the…
An approach to correlated dynamics of quantum nuclei and electrons both in dynamical interaction with external environments is presented. This stochastic quantum molecular dynamics rests on a theorem that establishes a one-to-one…
We present concise, computationally efficient formulas for several quantities of interest -- including absorbed and scattered power, optical force (radiation pressure), and torque -- in scattering calculations performed using the…
The deexcitation of exotic hydrogen atoms in highly excited states in collisions with hydrogen molecules has been studied using the classical-trajectory Monte Carlo method. The Coulomb transitions with large change of principal quantum…
We present a treatment of cold hydrogen-antihydrogen collisions based on the asymptotic properties of atom-antiatom interactions. We derive general formulas for the elastic and inelastic cross sections and for the scattering lengths and…
We present a theory describing interaction of structured light, such as light carrying orbital angular momentum, with molecules. The light-matter interaction Hamiltonian we derive is expressed through couplings between spherical gradients…
The multiple scattering theory (MST) is one of the most widely used methods in electronic structure calculations. It features a perfect separation between the atomic configurations and site potentials, and hence provides an efficient way to…