A finite-temperature Hartree–Fock code for shell-model Hamiltonians

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract The codes HFgradZ.py and HFgradT.py find axially symmetric minima of a Hartree–Fock energy functional for a Hamiltonian supplied in a shell model basis. The functional to be minimized is the Hartree–Fock energy for zero-temperature properties or the Hartree–Fock grand potential for finite-temperature properties (thermal energy, entropy). The minimization may be subjected to additional constraints besides axial symmetry and nucleon numbers. A single-particle operator can be used to constrain t... Title of program: HFgradZ.py, HFgradT.py Catalogue Id: AFAX_v1_0 Nature of problem Find Hartree-Fock minima of shell-model Hamiltonians Versions of this program held in the CPC repository in Mendeley Data AFAX_v1_0; HFgradZ.py, HFgradT.py; 10.1016/j.cpc.2016.06.023本程序源自贝尔法斯特女王大学馆藏的CPC程序库（1969-2018） 摘要 代码HFgradZ.py与HFgradT.py可针对壳模型基矢下给定的哈密顿量，求解哈特莱-福克（Hartree–Fock）能量泛函的轴对称极小值。待优化的泛函为用于零温性质的哈特莱-福克能量，或用于有限温性质（热能量、熵）的哈特莱-福克巨势。除轴对称性与核子数约束外，该极小化过程还可附加其他约束条件。可利用单粒子算符作为约束…… 程序名称：HFgradZ.py、HFgradT.py 目录编号：AFAX_v1_0 问题属性 求解壳模型哈密顿量的哈特莱-福克极小值 本程序在Mendeley数据的CPC仓库中的版本为： AFAX_v1_0; HFgradZ.py, HFgradT.py; 10.1016/j.cpc.2016.06.023