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OpenMP GNU and Intel Fortran programs for solving the time-dependent Gross-Pitaevskii equation

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 Added by Antun Balaz
 Publication date 2017
  fields Physics
and research's language is English




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We present Open Multi-Processing (OpenMP) version of Fortran 90 programs for solving the Gross-Pitaevskii (GP) equation for a Bose-Einstein condensate in one, two, and three spatial dimensions, optimized for use with GNU and Intel compilers. We use the split-step Crank-Nicolson algorithm for imaginary- and real-time propagation, which enables efficient calculation of stationary and non-stationary solutions, respectively. The present OpenMP programs are designed for computers with multi-core processors and optimized for compiling with both commercially-licensed Intel Fortran and popular free open-source GNU Fortran compiler. The programs are easy to use and are elaborated with helpful comments for the users. All input parameters are listed at the beginning of each program. Different output files provide physical quantities such as energy, chemical potential, root-mean-square sizes, densities, etc. We also present speedup test results for n



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Many of the static and dynamic properties of an atomic Bose-Einstein condensate (BEC) are usually studied by solving the mean-field Gross-Pitaevskii (GP) equation, which is a nonlinear partial differential equation for short-range atomic interaction. More recently, BEC of atoms with long-range dipolar atomic interaction are used in theoretical and experimental studies. For dipolar atomic interaction, the GP equation is a partial integro-differential equation, requiring complex algorithm for its numerical solution. Here we present numerical algorithms for both stationary and non-stationary solutions of the full three-dimensional (3D) GP equation for a dipolar BEC, including the contact interaction. We also consider the simplified one- (1D) and two-dimensional (2D) GP equations satisfied by cigar- and disk-shaped dipolar BECs. We employ the split-step Crank-Nicolson method with real- and imaginary-time propagations, respectively, for the numerical solution of the GP equation for dynamic and static properties of a dipolar BEC. The atoms are considered to be polarized along the z axis and we consider ten different cases, e.g., stationary and non-stationary solutions of the GP equation for a dipolar BEC in 1D (along x and z axes), 2D (in x-y and x-z planes), and 3D, and we provide working codes in Fortran 90/95 and C for these ten cases (twenty programs in all). We present numerical results for energy, chemical potential, root-mean-square sizes and density of the dipolar BECs and, where available, compare them with results of other authors and of variational and Thomas-Fermi approximations.
We present a suite of programs to determine the ground state of the time-independent Gross-Pitaevskii equation, used in the simulation of Bose-Einstein condensates. The calculation is based on the Optimal Damping Algorithm, ensuring a fast convergence to the true ground state. Versions are given for the one-, two-, and three-dimensional equation, using either a spectral method, well suited for harmonic trapping potentials, or a spatial grid.
We show how to adapt the ideas of local energy and momentum conservation in order to derive modifications to the Gross-Pitaevskii equation which can be used phenomenologically to describe irreversible effects in a Bose-Einstein condensate. Our approach involves the derivation of a simplified quantum kinetic theory, in which all processes are treated locally. It is shown that this kinetic theory can then be transformed into a number of phase-space representations, of which the Wigner function description, although approximate, is shown to be the most advantageous. In this description, the quantum kinetic master equation takes the form of a GPE with noise and damping added according to a well-defined prescription--an equation we call the stochastic GPE. From this, a very simplified description we call the phenomenological growth equation can be derived. We use this equation to study i) the nucleation and growth of vortex lattices, and ii) nonlinear losses in a hydrogen condensate, which it is shown can lead to a curious instability phenomenon.
We study the Cauchy problem for the 3D Gross-Pitaevskii equation. The global well-posedness in the natural energy space was proved by Gerard cite{Gerard}. In this paper we prove scattering for small data in the same space with some additional angular regularity, and in particular in the radial case we obtain small energy scattering.
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