The LISE package: Solvers for static and time-dependent superfluid local density approximation equations in three dimensions

Jin, Shi; Roche, Kenneth J.; Stetcu, Ionel; Abdurrahman, Ibrahim; Bulgac, Aurel

doi:10.1016/j.cpc.2021.108130

Title: The LISE package: Solvers for static and time-dependent superfluid local density approximation equations in three dimensions

Abstract

Nuclear implementation of the density functional theory (DFT) is at present the only microscopic framework applicable to the whole nuclear landscape. The extension of DFT to superfluid systems in the spirit of the Kohn-Sham approach, the superfluid local density approximation (SLDA) and its extension to time-dependent situations, time-dependent superfluid local density approximation (TDSLDA), have been extensively used to describe various static and dynamical problems in nuclear physics, neutron star crust, and cold atom systems. In this paper, we present the codes that solve the static and time-dependent SLDA equations in three-dimensional coordinate space without any symmetry restriction. These codes are fully parallelized with the message passing interface (MPI) library and the time-dependent code takes advantage of graphic processing units (GPU) for accelerating execution. The dynamic code has checkpoint/restart capabilities and for initial conditions one can use any generalized Slater determinant type of wave function. By generating the appropriate initial quasi-particle wave-functions in a static calculation only, the time-dependent code can describe a large number of physical problems: nuclear fission, collisions of heavy ions, the interaction of quantized vortices with nuclei in the nuclear star crust, excitation of superfluid fermion systems by time dependent external fields, quantum shock waves, domain wallmore »« less

Authors:

Jin, Shi ^[1];

^[2];

^[3]; Abdurrahman, Ibrahim ^[1];

^[1]

Univ. of Washington, Seattle, WA (United States)
Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Univ. of Washington, Seattle, WA (United States)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Publication Date:: Thu Aug 05 00:00:00 EDT 2021

Research Org.:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Org.:: USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Science (SC)

OSTI Identifier:: 1813842

Report Number(s):: LA-UR-19-29098
Journal ID: ISSN 0010-4655; TRN: US2213376

Grant/Contract Number:: 89233218CNA000001; FG02-97ER41014; NA0003841

Resource Type:: Accepted Manuscript

Journal Name:: Computer Physics Communications

Additional Journal Information:: Journal Volume: 269; Journal ID: ISSN 0010-4655

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS; 97 MATHEMATICS AND COMPUTING; density functional theory; superfluid local density approximation; nuclear structure; nuclear fission; nuclear collisions; excitation of nuclei with various external probes; quantized vortices

Citation Formats


                    Jin, Shi, Roche, Kenneth J., Stetcu, Ionel, Abdurrahman, Ibrahim, and Bulgac, Aurel. The LISE package: Solvers for static and time-dependent superfluid local density approximation equations in three dimensions.  United States: N. p., 2021. 
Web.  doi:10.1016/j.cpc.2021.108130.

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                    Jin, Shi, Roche, Kenneth J., Stetcu, Ionel, Abdurrahman, Ibrahim, & Bulgac, Aurel. The LISE package: Solvers for static and time-dependent superfluid local density approximation equations in three dimensions.  United States.  https://doi.org/10.1016/j.cpc.2021.108130

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                    Jin, Shi, Roche, Kenneth J., Stetcu, Ionel, Abdurrahman, Ibrahim, and Bulgac, Aurel. Thu .  
"The LISE package: Solvers for static and time-dependent superfluid local density approximation equations in three dimensions".  United States.  https://doi.org/10.1016/j.cpc.2021.108130.  https://www.osti.gov/servlets/purl/1813842.

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@article{osti_1813842,

  title        = {The LISE package: Solvers for static and time-dependent superfluid local density approximation equations in three dimensions},

  author       = {Jin, Shi and Roche, Kenneth J. and Stetcu, Ionel and Abdurrahman, Ibrahim and Bulgac, Aurel},

  abstractNote = {Nuclear implementation of the density functional theory (DFT) is at present the only microscopic framework applicable to the whole nuclear landscape. The extension of DFT to superfluid systems in the spirit of the Kohn-Sham approach, the superfluid local density approximation (SLDA) and its extension to time-dependent situations, time-dependent superfluid local density approximation (TDSLDA), have been extensively used to describe various static and dynamical problems in nuclear physics, neutron star crust, and cold atom systems. In this paper, we present the codes that solve the static and time-dependent SLDA equations in three-dimensional coordinate space without any symmetry restriction. These codes are fully parallelized with the message passing interface (MPI) library and the time-dependent code takes advantage of graphic processing units (GPU) for accelerating execution. The dynamic code has checkpoint/restart capabilities and for initial conditions one can use any generalized Slater determinant type of wave function. By generating the appropriate initial quasi-particle wave-functions in a static calculation only, the time-dependent code can describe a large number of physical problems: nuclear fission, collisions of heavy ions, the interaction of quantized vortices with nuclei in the nuclear star crust, excitation of superfluid fermion systems by time dependent external fields, quantum shock waves, domain wall generation and propagation, the dynamics of the Anderson-Bogoliubov-Higgs mode, dynamics of fragmented condensates, vortex rings dynamics, generation and dynamics of quantized vortices, their crossing and recombinations and the incipient phases of quantum turbulence.},

  doi          = {10.1016/j.cpc.2021.108130},

  journal      = {Computer Physics Communications},

  number       = ,

  volume       = 269,

  place        = {United States},

  year         = {Thu Aug 05 00:00:00 EDT 2021},

  month        = {Thu Aug 05 00:00:00 EDT 2021}

}

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