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FACt: FORTRAN toolbox for calculating fluctuations in atomic condensates
Computer Physics Communications ( IF 3.309 ) Pub Date : 2020-03-18 , DOI: 10.1016/j.cpc.2020.107288
Arko Roy; Sukla Pal; S. Gautam; D. Angom; P. Muruganandam

We develop a FORTRAN code to compute fluctuations in atomic condensates (FACt) by solving the Bogoliubov–de Gennes (BdG) equations for two component Bose–Einstein condensate (TBEC) in quasi-two dimensions. The BdG equations are recast as matrix equations and solved self consistently. The code is suitable for handling quantum fluctuations as well as thermal fluctuations at temperatures below the critical point of Bose–Einstein condensation. The code is versatile, and the ground state density profile and low energy excitation modes obtained from the code can be easily adapted to compute different properties of TBECs — ground state energy, overlap integral, quasi particle amplitudes of BdG spectrum, dispersion relation and structure factor and other related experimental observables. Program summary Program Title: FACt Program Files doi: http://dx.doi.org/10.17632/5h348ndydg.1 Licensing provisions: MIT Programming language: FORTRAN 90 External routines/libraries: ARPACK Nature of problem: Compute the ground state density profile, ground state energy and chemical potential for individual species, evaluate the quasiparticle mode energies and corresponding amplitudes which can capture the transformation of the modes against the change of the parameters (intraspecies interaction, interspecies interaction, anisotropy parameter etc.) using Hartree–Fock–Bogoliubov theory with the Popov approximation. Calculate the overlap integral, dispersion relation and structure factor. Solution method: In the first step, the pair of coupled Gross–Pitaevskii equations (CGPEs) is solved using split time-step Fourier pseudospectral method to compute the condensate density. To solve the BdG equations, as a basic input the first Nb harmonic oscillator eigenstates are chosen as a basis to generate the BdG 011 matrix with dimension of 4(Nb+1)×4(Nb+1). Since the matrix size rapidly increases with Nb, Arpack routines are used to diagonalize the BdG matrix efficiently. To compute the fluctuation and non-condensate density, a set of the low energy quasiparticle amplitudes above a threshold value of the Bose factor are considered. The equations are then solved iteratively till the condensate, and non-condensate densities converge to predefined accuracies. To accelerate the convergence we use the method of successive under-relaxation (SUR). Additional comments including restrictions and unusual features: For a large system size, if the harmonic oscillator basis size is also taken to be large, the dimension of the BdG matrix becomes huge. It may take several days to compute the low energy modes at finite temperature and this package may be computationally expensive. After successful computation of this package, one should obtain the equilibrium density profiles for TBEC, low energy Bogoliubov modes and the corresponding quasiparticle amplitudes. In addition, one can calculate the dispersion relation, structure factor, overlap integral, correlation function, etc. using this package with minimal modifications. In the theory section of the manuscript, we have provided the expressions to compute the above quantities numerically.
更新日期:2020-03-18

 

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