相关论文: Parameterized optimized effective potential for at…
Optimal control problem with a goal to squeeze wave packet of a trapped quantum particle is considered and solved analytically using adiabatic approximation. The analytical solution that drives the particle into a highly localized final…
Optical metasurfaces are planar arrangements of subwavelength meta-atoms that implement a wide range of transformations on incident light. The design of efficient metasurfaces requires that the responses of and interactions among meta-atoms…
An analytic representation of the short-range repulsion energy in ionic systems is described that allows for the fact that ions may change their size and shape depending on their environment. This function is extremely efficient to evaluate…
Interatomic potentials provide a means to simulate extended length and time scales that are outside the reach of ab initio calculations. The development of an interatomic potential for a particular material requires the optimization of the…
Performing interferometry in an optical lattice formed by standing waves of light offers potential advantages over its free-space equivalents since the atoms can be confined and manipulated by the optical potential. We demonstrate such an…
Computational studies of chemical reactions in complex environments such as proteins, nanostructures, or on surfaces require accurate and efficient atomistic models applicable to the nanometer scale. In general, an accurate parametrization…
The embedded atom method (EAM) potentials are probably the most widely used interatomic potentials for metals and alloys. However, the EAM potentials impose three constraints on elastic constants that are inconsistent with experiments. At a…
We present a spectral finite-element formulation of the optimized effective potential (OEP) method for atomic structure calculations in the random phase approximation (RPA). In particular, we develop a finite-element framework that employs…
We derive a multiconfigurational time-dependent Hartree theory for systems with particle conversion. In such systems particles of one kind can convert to another kind and the total number of particles varies in time. The theory thus extends…
Bound states of hyperbolic potential is investigated by means of a generalized pseudospectral method. Significantly improved eigenvalues, eigenfunctions are obtained efficiently for arbitrary $n, \ell$ quantum states by solving the relevant…
We consider the problem of optimization of an effective trapping potential in a nanostructure with a quasi-one-dimensional geometry. The optimization is performed to achieve certain target optical properties of the system. We formulate and…
We propose a unique scheme to construct fully optimized atomic basis sets for density-functional calculations. The shapes of the radial functions are optimized by minimizing the {\it spillage} of the wave functions between the atomic…
On the basis of a simple exactly solvable model we discuss the possibilities for state preparation and state control of atoms in a periodic optical potential. In addition to the periodic potential a uniform force with an arbitrary time…
The optimized effective potential (OEP) is the exact Kohn-Sham potential for explicitly orbital-dependent energy functionals, e.g., the exact exchange energy. We give a proof for the OEP equation which does not depend on the chain rule for…
We study operators on a singular manifold, here of conical or edge type, and develop a new general approach of representing asymptotics of solutions to elliptic equations close to the singularities. The idea is to construct so-called…
We study the means to prepare and coherently manipulate atomic wave packets in optical lattices, with particular emphasis on alkali atoms in the far-detuned limit. We derive a general, basis independent expression for the lattice operator,…
The behavior of the quantum potential is studied for a particle in a linear and a harmonic potential by means of an extended phase space technique. This is done by obtaining an expression for the quantum potential in momentum space…
We present a unified quantum-classical framework for addressing NP-complete constrained combinatorial optimization problems, generalizing the recently proposed Quantum Conic Programming (QCP) approach. Accordingly, it inherits many…
This article proposes a new approach based on finite-horizon parameterizing manifolds (PMs) for the design of low-dimensional suboptimal controllers to optimal control problems of nonlinear partial differential equations (PDEs) of parabolic…
In this letter we propose the use of physics techniques for entropy determination on constrained parameter optimization problems. The main feature of such techniques, the construction of an unbiased walk on energy space, suggests their use…