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

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.

密度泛函理论（DFT）的核物理实现，是目前唯一可覆盖全核素谱系的微观理论框架。遵循科恩-沈吕九（Kohn-Sham）方法的理念将DFT推广至超流体体系的超流体局域密度近似（SLDA），以及其向含时场景拓展得到的含时超流体局域密度近似（TDSLDA），已被广泛应用于核物理、中子星地壳与冷原子体系中的各类静态与动力学问题研究。本文提供了可在三维坐标空间中求解静态与含时SLDA方程的代码，无需施加任何对称性限制。这些代码完全基于消息传递接口（MPI）库实现全并行化，且含时版本代码可借助图形处理器（GPU）加速运算。该动力学代码具备检查点/重启功能，初始条件可采用任意广义斯莱特行列式型波函数。仅需在静态计算中生成适配的初始准粒子波函数，含时代码便可用于描述大量物理问题：核裂变、重离子碰撞、核星地壳中量子涡旋与原子核的相互作用、含时外场对超流体费米子体系的激发、量子冲击波、畴壁的产生与传播、安德森-博戈留博夫-希格斯模式的动力学行为、碎片化凝聚体的动力学过程、涡旋环动力学、量子涡旋的产生与演化、其交叉与重组过程，以及量子湍流的初始形成阶段。